6P2V
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![BU of 6p2v by Molmil](/molmil-images/mine/6p2v) | RebH Variant 10S, Tryptamine 5-halogenase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase RebH | Authors: | Andorfer, M.C, Sukumar, N, Lewis, J.C. | Deposit date: | 2019-05-22 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.553 Å) | Cite: | Structural and Computational Analysis of Laboratory-Evolved Halogenases Reveals Molecular Details of Site-Selectivity To Be Published
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5UGH
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![BU of 5ugh by Molmil](/molmil-images/mine/5ugh) | Crystal structure of Mat2a bound to the allosteric inhibitor PF-02929366 | Descriptor: | 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine, S-adenosylmethionine synthase isoform type-2 | Authors: | Kaiser, S.E, Feng, J, Stewart, A.E. | Deposit date: | 2017-01-08 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.062 Å) | Cite: | Targeting S-adenosylmethionine biosynthesis with a novel allosteric inhibitor of Mat2A. Nat. Chem. Biol., 13, 2017
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6P00
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![BU of 6p00 by Molmil](/molmil-images/mine/6p00) | RebH Variant 8F, Tryptamine 6-halogenase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase RebH | Authors: | Andorfer, M.C, Sukumar, N, Lewis, J.C. | Deposit date: | 2019-05-16 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Structural and Computational Analysis of Laboratory-Evolved Halogenases Reveals Molecular Details of Site-Selectivity To Be Published
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4X3X
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![BU of 4x3x by Molmil](/molmil-images/mine/4x3x) | The crystal structure of Arc C-lobe | Descriptor: | Activity-regulated cytoskeleton-associated protein | Authors: | Zhang, W, Ward, M, Leahy, D, Worley, P. | Deposit date: | 2014-12-01 | Release date: | 2015-06-03 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of arc binding to synaptic proteins: implications for cognitive disease. Neuron, 86, 2015
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4X3H
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![BU of 4x3h by Molmil](/molmil-images/mine/4x3h) | CRYSTAL STRUCTURE OF ARC N-LOBE COMPLEXED WITH STARGAZIN PEPTIDE | Descriptor: | Activity-regulated cytoskeleton-associated protein, VOLTAGE-DEPENDENT CALCIUM CHANNEL GAMMA-2 SUBUNIT | Authors: | zhang, W, ward, m, leahy, d, worley, p. | Deposit date: | 2014-11-30 | Release date: | 2015-06-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structural basis of arc binding to synaptic proteins: implications for cognitive disease. Neuron, 86, 2015
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4X3I
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![BU of 4x3i by Molmil](/molmil-images/mine/4x3i) | The crystal structure of Arc N-lobe complexed with CAMK2A fragment | Descriptor: | Activity-regulated cytoskeleton-associated protein, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II SUBUNIT ALPHA | Authors: | Zhang, W, Ward, M, Leahy, D, Worley, P. | Deposit date: | 2014-11-30 | Release date: | 2015-06-03 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of arc binding to synaptic proteins: implications for cognitive disease. Neuron, 86, 2015
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7WVL
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![BU of 7wvl by Molmil](/molmil-images/mine/7wvl) | |
8YKI
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![BU of 8yki by Molmil](/molmil-images/mine/8yki) | FGFR-1 in complex with ligand tasurgratinib | Descriptor: | CHLORIDE ION, Fibroblast growth factor receptor 1, Tasurgratinib | Authors: | Ikemori-Kawada, M, Watanabe Miyano, S. | Deposit date: | 2024-03-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Antitumor Activity of Tasurgratinib as an Orally Available FGFR1-3 Inhibitor in Cholangiocarcinoma Models With FGFR2-fusion. Anticancer Res., 44, 2024
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6JB2
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![BU of 6jb2 by Molmil](/molmil-images/mine/6jb2) | Crystal structure of nanobody D3-L11 mutant Y102A in complex with hen egg-white lysozyme | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | Authors: | Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K. | Deposit date: | 2019-01-25 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody. Sci Rep, 9, 2019
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6JB9
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![BU of 6jb9 by Molmil](/molmil-images/mine/6jb9) | Crystal structure of nanobody D3-L11 (unbound form) | Descriptor: | Nanobody D3-L11, SULFATE ION | Authors: | Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K. | Deposit date: | 2019-01-25 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody. Sci Rep, 9, 2019
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8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | Descriptor: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.258 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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1QJZ
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![BU of 1qjz by Molmil](/molmil-images/mine/1qjz) | Three Dimensional Structure of Physalis Mottle Virus : Implications for the Viral Assembly | Descriptor: | COAT PROTEIN | Authors: | Krishna, S.S, Hiremath, C.N, Munshi, S.K, Prahadeeswaran, D, Sastri, M, Savithri, H.S, Murthy, M.R.N. | Deposit date: | 1999-07-07 | Release date: | 1999-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Three Dimensional Structure of Physalis Movirus: Implications for the Viral Assembly J.Mol.Biol., 289, 1999
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8HTR
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![BU of 8htr by Molmil](/molmil-images/mine/8htr) | Crystal structure of Bcl2 in complex with S-9c | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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8HTS
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![BU of 8hts by Molmil](/molmil-images/mine/8hts) | Crystal structure of Bcl2 in complex with S-10r | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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3ZD2
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![BU of 3zd2 by Molmil](/molmil-images/mine/3zd2) | THE STRUCTURE OF THE TWO N-TERMINAL DOMAINS OF COMPLEMENT FACTOR H RELATED PROTEIN 1 SHOWS FORMATION OF A NOVEL DIMERISATION INTERFACE | Descriptor: | 1,2-ETHANEDIOL, COMPLEMENT FACTOR H-RELATED PROTEIN 1 | Authors: | Caesar, J.J.E, Goicoechea de Jorge, E, Pickering, M.C, Lea, S.M. | Deposit date: | 2012-11-23 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Dimerization of Complement Factor H-Related Proteins Modulates Complement Activation in Vivo. Proc.Natl.Acad.Sci.USA, 110, 2013
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6CG6
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![BU of 6cg6 by Molmil](/molmil-images/mine/6cg6) | mouse cadherin-10 EC1-2 adhesive fragment | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cadherin-10, ... | Authors: | Brasch, J, Harrison, O.J, Shapiro, L. | Deposit date: | 2018-02-19 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.707 Å) | Cite: | Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior. Cell Rep, 23, 2018
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6CGU
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![BU of 6cgu by Molmil](/molmil-images/mine/6cgu) | mouse cadherin-6 EC1-2 adhesive fragment | Descriptor: | CALCIUM ION, Cadherin-6 | Authors: | Brasch, J, Harrison, O.J, Shapiro, L. | Deposit date: | 2018-02-20 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior. Cell Rep, 23, 2018
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6CGB
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![BU of 6cgb by Molmil](/molmil-images/mine/6cgb) | chimera of mouse cadherin-11 EC1 and mouse cadherin-6 EC2 | Descriptor: | ACETATE ION, CALCIUM ION, Cadherin-11, ... | Authors: | Brasch, J, Harrison, O.J, Shapiro, L, Kaeser, B. | Deposit date: | 2018-02-19 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.994 Å) | Cite: | Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior. Cell Rep, 23, 2018
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6DIG
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![BU of 6dig by Molmil](/molmil-images/mine/6dig) | Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a hypocretin peptide | Descriptor: | 13-mer peptide: ALA-GLY-ASN-HIS-ALA-ALA-GLY-ILE-LEU-THR-LEU-GLY-LYS, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W. | Deposit date: | 2018-05-23 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | In vivo clonal expansion and phenotypes of hypocretin-specific CD4+T cells in narcolepsy patients and controls. Nat Commun, 10, 2019
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3SBD
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![BU of 3sbd by Molmil](/molmil-images/mine/3sbd) | Crystal structure of RAC1 P29S mutant | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2011-06-03 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. Nat.Genet., 44, 2012
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6LGW
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![BU of 6lgw by Molmil](/molmil-images/mine/6lgw) | Structure of Rabies virus glycoprotein in complex with neutralizing antibody 523-11 at acidic pH | Descriptor: | Glycoprotein, scFv 523-11 | Authors: | Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W. | Deposit date: | 2019-12-06 | Release date: | 2020-02-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9037 Å) | Cite: | Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody. Cell Host Microbe, 27, 2020
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6LGX
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![BU of 6lgx by Molmil](/molmil-images/mine/6lgx) | Structure of Rabies virus glycoprotein at basic pH | Descriptor: | Glycoprotein,Glycoprotein,Glycoprotein | Authors: | Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W. | Deposit date: | 2019-12-06 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.097 Å) | Cite: | Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody. Cell Host Microbe, 27, 2020
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3SBE
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![BU of 3sbe by Molmil](/molmil-images/mine/3sbe) | Crystal structure of RAC1 P29S mutant | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2011-06-03 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. Nat.Genet., 44, 2012
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8UHB
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![BU of 8uhb by Molmil](/molmil-images/mine/8uhb) | Cryo-EM Structure of the Ro5256390-bound hTA1-Gs heterotrimer signaling complex | Descriptor: | (2R,4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zilberg, G, Warren, A.L, Parpounas, A.K, Wacker, D. | Deposit date: | 2023-10-08 | Release date: | 2024-01-10 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Molecular basis of human trace amine-associated receptor 1 activation. Nat Commun, 15, 2024
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