4B1Y
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![BU of 4b1y by Molmil](/molmil-images/mine/4b1y) | Structure of the Phactr1 RPEL-3 bound to G-actin | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Mouilleron, S, Wiezlak, M, O'Reilly, N, Treisman, R, McDonald, N.Q. | Deposit date: | 2012-07-12 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Structures of the Phactr1 RPEL domain and RPEL motif complexes with G-actin reveal the molecular basis for actin binding cooperativity. Structure, 20, 2012
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8E59
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![BU of 8e59 by Molmil](/molmil-images/mine/8e59) | Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone at 3.1 Angstrom resolution | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-08-20 | Release date: | 2022-12-07 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels. Cell, 185, 2022
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6QHS
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![BU of 6qhs by Molmil](/molmil-images/mine/6qhs) | Time resolved structural analysis of the full turnover of an enzyme - 564 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.733 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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2KSF
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![BU of 2ksf by Molmil](/molmil-images/mine/2ksf) | Backbone structure of the membrane domain of E. coli histidine kinase receptor KdpD, Center for Structures of Membrane Proteins (CSMP) target 4312C | Descriptor: | Sensor protein kdpD | Authors: | Maslennikov, I, Klammt, C, Kefala, G, Okamura, M, Esquivies, L, Kwiatkowski, W, Choe, S, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2010-01-03 | Release date: | 2010-03-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Membrane domain structures of three classes of histidine kinase receptors by cell-free expression and rapid NMR analysis. Proc.Natl.Acad.Sci.USA, 107, 2010
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8DVY
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![BU of 8dvy by Molmil](/molmil-images/mine/8dvy) | DNA glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an enzyme-generated abasic site product (AP) and crystalized with calcium acetate | Descriptor: | ACETATE ION, Adenine DNA glycosylase, CALCIUM ION, ... | Authors: | Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S. | Deposit date: | 2022-07-30 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism. Nucleic Acids Res., 51, 2023
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6QI0
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![BU of 6qi0 by Molmil](/molmil-images/mine/6qi0) | Time resolved structural analysis of the full turnover of an enzyme - 9024 ms | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.733 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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8DW4
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![BU of 8dw4 by Molmil](/molmil-images/mine/8dw4) | Glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an abasic site product (AP) generated by the enzyme in crystals by removal of calcium | Descriptor: | ACETATE ION, Adenine DNA glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), ... | Authors: | Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S. | Deposit date: | 2022-07-31 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism. Nucleic Acids Res., 51, 2023
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8E5B
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![BU of 8e5b by Molmil](/molmil-images/mine/8e5b) | Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone and Sofosbuvir at 3.3 Angstrom resolution | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-08-20 | Release date: | 2022-12-07 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels. Cell, 185, 2022
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6U0A
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![BU of 6u0a by Molmil](/molmil-images/mine/6u0a) | Human Angiopoietin-Like 4 C-Terminal Domain (cANGPTL4) with Glycerol | Descriptor: | Angiopoietin-related protein 4, GLYCEROL | Authors: | Tarver, C.L, Yuan, Q, Singhal, A.J, Ramaker, R, Cooper, S, Pusey, M.L. | Deposit date: | 2019-08-14 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal Structures of Angiopoietin-Like 4 C-Terminal Domain (cANGPTL4) Reveal a Binding Pocket with Multiple Ligands To Be Published
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6QI3
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![BU of 6qi3 by Molmil](/molmil-images/mine/6qi3) | Time resolved structural analysis of the full turnover of an enzyme - 27072 ms | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.739 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QIZ
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![BU of 6qiz by Molmil](/molmil-images/mine/6qiz) | CI-2, conformation 2 | Descriptor: | Subtilisin-chymotrypsin inhibitor-2A | Authors: | Romero, A, Ruiz, F.M. | Deposit date: | 2019-01-21 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Engineering protein assemblies with allosteric control via monomer fold-switching. Nat Commun, 10, 2019
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4B98
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![BU of 4b98 by Molmil](/molmil-images/mine/4b98) | The structure of the omega aminotransferase from Pseudomonas aeruginosa | Descriptor: | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, BETA-ALANINE--PYRUVATE TRANSAMINASE, CALCIUM ION, ... | Authors: | Sayer, C, Isupov, M.N, Westlake, A, Littlechild, J.A. | Deposit date: | 2012-09-03 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Studies with Pseudomonas and Chromobacterium [Omega]-Aminotransferases Provide Insights Into Their Differing Substrate Specificity. Acta Crystallogr.,Sect.D, 69, 2013
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8E57
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![BU of 8e57 by Molmil](/molmil-images/mine/8e57) | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 100 microM MNI-1 at 2.8 Angstrom resolution | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-08-20 | Release date: | 2022-12-07 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels. Cell, 185, 2022
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8E5A
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![BU of 8e5a by Molmil](/molmil-images/mine/8e5a) | Human L-type voltage-gated calcium channel Cav1.3 treated with 1.4 mM Sofosbuvir at 3.3 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-08-20 | Release date: | 2022-12-07 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels. Cell, 185, 2022
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4BKP
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![BU of 4bkp by Molmil](/molmil-images/mine/4bkp) | Crystal structure of human GDP-L-fucose synthase with bound NADP | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, GDP-L-FUCOSE SYNTHASE, ... | Authors: | Vollmar, M, Shafqat, N, Rojkova, A, Krojer, T, Bradley, A, Raynor, J.W, Kavanagh, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U, Yue, W.W. | Deposit date: | 2013-04-29 | Release date: | 2013-06-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp To be Published
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6QFM
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![BU of 6qfm by Molmil](/molmil-images/mine/6qfm) | Structure of human Mcl-1 in complex with PUMA BH3 peptide | Descriptor: | Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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4BLK
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![BU of 4blk by Molmil](/molmil-images/mine/4blk) | Crystal Structure of Fungal Versatile Peroxidase I from Pleurotus ostreatus - Crystal Form I | Descriptor: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, VERSATILE PEROXIDASE I | Authors: | Medrano, F.J, Romero, A. | Deposit date: | 2013-05-03 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.049 Å) | Cite: | Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability. Biotechnol.Biofuels, 7, 2014
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6QFS
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![BU of 6qfs by Molmil](/molmil-images/mine/6qfs) | Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ... | Authors: | Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R. | Deposit date: | 2019-01-10 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Charge Interactions in a Highly Charge-depleted Protein J.Am.Chem.Soc., 2021
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6QGE
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![BU of 6qge by Molmil](/molmil-images/mine/6qge) | Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-01-11 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. J. Am. Chem. Soc., 141, 2019
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8E56
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![BU of 8e56 by Molmil](/molmil-images/mine/8e56) | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone at 2.8 Angstrom resolution | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-08-20 | Release date: | 2022-12-07 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels. Cell, 185, 2022
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6U6F
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![BU of 6u6f by Molmil](/molmil-images/mine/6u6f) | The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21 | Descriptor: | 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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6QGF
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![BU of 6qgf by Molmil](/molmil-images/mine/6qgf) | Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-01-11 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. J. Am. Chem. Soc., 141, 2019
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6QGH
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![BU of 6qgh by Molmil](/molmil-images/mine/6qgh) | Structure of human Bcl-2 in complex with ABT-263 | Descriptor: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-11 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QGJ
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![BU of 6qgj by Molmil](/molmil-images/mine/6qgj) | Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid | Descriptor: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-11 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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4BLI
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![BU of 4bli by Molmil](/molmil-images/mine/4bli) | Galectin-3c in complex with Bisamido-thiogalactoside derivate 1 | Descriptor: | (3-Deoxy-3-(3-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide, GALECTIN-3 | Authors: | Noresson, A.L, Oberg, C.T, Engstrom, O, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J. | Deposit date: | 2013-05-03 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Controlling Protein Conformation Through Electronic Fine-Tuning of Arginine-Arene Interactions: Synthetic, Structural, and Biological Studies To be Published
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