8CNJ
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![BU of 8cnj by Molmil](/molmil-images/mine/8cnj) | HRas(1-166) in complex with GDP and BeF3- | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BERYLLIUM TRIFLUORIDE ION, GTPase HRas, ... | Authors: | Baumann, P, Jin, Y. | Deposit date: | 2023-02-23 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes. Commun Chem, 7, 2024
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8C0V
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![BU of 8c0v by Molmil](/molmil-images/mine/8c0v) | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate in single seam state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ruettermann, M, Koci, M, Lill, P, Geladas, E.D, Kaschani, F, Klink, B.U, Erdmann, R, Gatsogiannis, C. | Deposit date: | 2022-12-19 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate. Nat Commun, 14, 2023
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8C0W
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![BU of 8c0w by Molmil](/molmil-images/mine/8c0w) | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate in twin seam state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ruettermann, M, Koci, M, Lill, P, Geladas, E.D, Kaschani, F, Klink, B.U, Erdmann, R, Gatsogiannis, C. | Deposit date: | 2022-12-19 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate. Nat Commun, 14, 2023
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8CJ7
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![BU of 8cj7 by Molmil](/molmil-images/mine/8cj7) | HDAC6 selective degraded (difluoromethyl)-1,3,4-oxadiazole substrate inhibitor | Descriptor: | 6-[(5-pyridin-2-yl-1,2$l^{4},3,4-tetrazacyclopenta-1,3-dien-2-yl)methyl]pyridine-3-carbohydrazide, Histone deacetylase 6, IODIDE ION, ... | Authors: | Sandmark, J, Ek, M, Ripa, L. | Deposit date: | 2023-02-12 | Release date: | 2023-10-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Selective and Bioavailable HDAC6 2-(Difluoromethyl)-1,3,4-oxadiazole Substrate Inhibitors and Modeling of Their Bioactivation Mechanism. J.Med.Chem., 66, 2023
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5GO9
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![BU of 5go9 by Molmil](/molmil-images/mine/5go9) | |
5JN9
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![BU of 5jn9 by Molmil](/molmil-images/mine/5jn9) | Crystal structure for the complex of human carbonic anhydrase IV and ethoxyzolamide | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ... | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | Deposit date: | 2016-04-29 | Release date: | 2017-05-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
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5JN8
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![BU of 5jn8 by Molmil](/molmil-images/mine/5jn8) | Crystal Structure for the complex of human carbonic anhydrase IV and acetazolamide | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Carbonic anhydrase 4, ... | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | Deposit date: | 2016-04-29 | Release date: | 2017-05-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
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5FPN
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![BU of 5fpn by Molmil](/molmil-images/mine/5fpn) | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 3,5-dimethyl-1H-pyrazole-4-carboxylic acid (AT9084) in an alternate binding site. | Descriptor: | 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, HEAT SHOCK-RELATED 70 KDA PROTEIN 2 | Authors: | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | Deposit date: | 2015-12-02 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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1Z3J
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![BU of 1z3j by Molmil](/molmil-images/mine/1z3j) | Solution Structure of MMP12 in the presence of N-isobutyl-N-4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH) | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | Authors: | Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P. | Deposit date: | 2005-03-13 | Release date: | 2005-04-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Conformational variability of matrix metalloproteinases: Beyond a single 3D structure. Proc.Natl.Acad.Sci.Usa, 102, 2005
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4XYD
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![BU of 4xyd by Molmil](/molmil-images/mine/4xyd) | Nitric oxide reductase from Roseobacter denitrificans (RdNOR) | Descriptor: | CALCIUM ION, COPPER (II) ION, FE (III) ION, ... | Authors: | Crow, A. | Deposit date: | 2015-02-02 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure of the Membrane-intrinsic Nitric Oxide Reductase from Roseobacter denitrificans. Biochemistry, 55, 2016
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8W2O
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![BU of 8w2o by Molmil](/molmil-images/mine/8w2o) | Yeast U1 snRNP with humanized U1C Zinc-Finger domain | Descriptor: | 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA, Pre-mRNA-processing factor 39, ... | Authors: | Shi, S.S, Kuang, Z.L, Zhao, R. | Deposit date: | 2024-02-20 | Release date: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Selected humanization of yeast U1 snRNP leads to global suppression of pre-mRNA splicing and mitochondrial dysfunction in the budding yeast. Rna, 2024
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2OSM
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![BU of 2osm by Molmil](/molmil-images/mine/2osm) | Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study | Descriptor: | 2-MERCAPTOPHENOL, Carbonic anhydrase 2, ZINC ION | Authors: | Albert, A.B, Caroli, G, Govindasamy, L, Agbandje-Mckenna, M, McKenna, R, Tripp, B.C. | Deposit date: | 2007-02-06 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study. Biochemistry, 47, 2008
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5FPR
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![BU of 5fpr by Molmil](/molmil-images/mine/5fpr) | Structure of Bacterial DNA Ligase with small-molecule ligand pyrimidin-2-amine (AT371) in an alternate binding site. | Descriptor: | DNA LIGASE, PYRIMIDIN-2-AMINE, SULFATE ION | Authors: | Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. | Deposit date: | 2015-12-02 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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1YR1
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![BU of 1yr1 by Molmil](/molmil-images/mine/1yr1) | |
5GJW
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![BU of 5gjw by Molmil](/molmil-images/mine/5gjw) | Structure of the mammalian voltage-gated calcium channel Cav1.1 complex for ClassII map | 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: | Wu, J.P, Yan, Z, Li, Z.Q, Zhou, Q, Yan, N. | Deposit date: | 2016-07-02 | Release date: | 2016-09-14 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of the voltage-gated calcium channel Cav1.1 at 3.6 angstrom resolution Nature, 537, 2016
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8BQD
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![BU of 8bqd by Molmil](/molmil-images/mine/8bqd) | Yeast 80S ribosome in complex with Map1 (conformation 1) | Descriptor: | 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ... | Authors: | Knorr, A.G, Mackens-Kiani, T, Musial, J, Berninghausen, O, Becker, T, Beatrix, B, Beckmann, R. | Deposit date: | 2022-11-21 | Release date: | 2023-03-22 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The dynamic architecture of Map1- and NatB-ribosome complexes coordinates the sequential modifications of nascent polypeptide chains. Plos Biol., 21, 2023
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6TO9
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![BU of 6to9 by Molmil](/molmil-images/mine/6to9) | |
4YCL
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![BU of 4ycl by Molmil](/molmil-images/mine/4ycl) | Crystal structure of the SR CA2+-ATPASE with bound CPA | Descriptor: | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Ogawa, H, Takahashi, M, Kondou, Y, Toyoshima, C. | Deposit date: | 2015-02-20 | Release date: | 2015-04-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors Proc.Natl.Acad.Sci.Usa, 104, 2007
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5JK4
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![BU of 5jk4 by Molmil](/molmil-images/mine/5jk4) | Phosphate-Binding Protein from Stenotrophomonas maltophilia. | Descriptor: | Alkaline phosphatase, PHOSPHATE ION | Authors: | Keegan, R, Waterman, D, Hopper, D, Coates, L, Guo, J, Coker, A.R, Erskine, P.T, Wood, S.P, Cooper, J.B. | Deposit date: | 2016-04-25 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The 1.1 angstrom resolution structure of a periplasmic phosphate-binding protein from Stenotrophomonas maltophilia: a crystallization contaminant identified by molecular replacement using the entire Protein Data Bank. Acta Crystallogr D Struct Biol, 72, 2016
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8TS0
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![BU of 8ts0 by Molmil](/molmil-images/mine/8ts0) | |
8IQJ
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![BU of 8iqj by Molmil](/molmil-images/mine/8iqj) | Crystal structure of SARS-CoV2 N-NTD | Descriptor: | Nucleoprotein | Authors: | Hong, J.Y, Hou, M.H. | Deposit date: | 2023-03-16 | Release date: | 2024-02-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Targeting protein-protein interaction interfaces with antiviral N protein inhibitor in SARS-CoV-2. Biophys.J., 123, 2024
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6TO5
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![BU of 6to5 by Molmil](/molmil-images/mine/6to5) | |
6TOC
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![BU of 6toc by Molmil](/molmil-images/mine/6toc) | |
6T7D
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![BU of 6t7d by Molmil](/molmil-images/mine/6t7d) | Structure of human Sox11 transcription factor in complex with a nucleosome | Descriptor: | DNA (151-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | Authors: | Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P. | Deposit date: | 2019-10-21 | Release date: | 2020-04-29 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function. Nature, 580, 2020
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5E29
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![BU of 5e29 by Molmil](/molmil-images/mine/5e29) | Crystal Structure of Deoxygenated Hemoglobin in Complex with an Allosteric Effector and Nitric Oxide | Descriptor: | 2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate, 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID, CACODYLATE ION, ... | Authors: | Safo, M.K, Deshpande, T.M. | Deposit date: | 2015-09-30 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Prodrugs as Drug Candidates for the Treatment of Ischemic Disorders: Insights into NO-Releasing Prodrug Biotransformation and Hemoglobin-NO Biochemistry. Biochemistry, 54, 2015
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