5EYC
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![BU of 5eyc by Molmil](/molmil-images/mine/5eyc) | Crystal structure of c-Met in complex with naphthyridinone inhibitor 5 | Descriptor: | 6-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one, Hepatocyte growth factor receptor | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2015-11-24 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity. J.Med.Chem., 59, 2016
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4WF6
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![BU of 4wf6 by Molmil](/molmil-images/mine/4wf6) | Anthrax toxin lethal factor with bound small molecule inhibitor MK-31 | Descriptor: | 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ... | Authors: | Maize, K.M, De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2014-09-12 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6521 Å) | Cite: | Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates. J.Med.Chem., 58, 2015
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8T52
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![BU of 8t52 by Molmil](/molmil-images/mine/8t52) | |
4WOC
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![BU of 4woc by Molmil](/molmil-images/mine/4woc) | Proteinase-K Post-Surface Acoustic Waves | Descriptor: | Proteinase K, SULFATE ION | Authors: | French, J.B. | Deposit date: | 2014-10-15 | Release date: | 2015-02-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Precise Manipulation and Patterning of Protein Crystals for Macromolecular Crystallography Using Surface Acoustic Waves. Small, 11, 2015
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5EYD
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![BU of 5eyd by Molmil](/molmil-images/mine/5eyd) | Crystal structure of c-Met in complex with AMG 337 | Descriptor: | 6-[(1~{R})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one, Hepatocyte growth factor receptor | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2015-11-24 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity. J.Med.Chem., 59, 2016
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8T5A
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![BU of 8t5a by Molmil](/molmil-images/mine/8t5a) | |
3K4E
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![BU of 3k4e by Molmil](/molmil-images/mine/3k4e) | Puf3 RNA binding domain bound to Cox17 RNA 3' UTR recognition sequence site A | Descriptor: | RNA (5'-R(P*CP*UP*UP*GP*UP*AP*UP*AP*UP*A)-3'), mRNA-binding protein PUF3 | Authors: | Zhu, D, Stumpf, C.R, Krahn, J.M, Wickens, M, Hall, T.M.T. | Deposit date: | 2009-10-05 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A 5' cytosine binding pocket in Puf3p specifies regulation of mitochondrial mRNAs. Proc.Natl.Acad.Sci.USA, 106, 2009
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3JPT
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![BU of 3jpt by Molmil](/molmil-images/mine/3jpt) | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-fluoro chloro methylene triphosphate | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | Deposit date: | 2009-09-04 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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8V8E
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![BU of 8v8e by Molmil](/molmil-images/mine/8v8e) | Room-temperature X-ray structure of SARS-CoV-2 main protease catalytic domain (residues 1-199-6H) in complex with ensitrelvir (ESV) | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, peptide | Authors: | Kovalevsky, A, Coates, L. | Deposit date: | 2023-12-05 | Release date: | 2024-05-29 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of SARS-CoV-2 Main Protease. J.Mol.Biol., 436, 2024
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3KJ1
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![BU of 3kj1 by Molmil](/molmil-images/mine/3kj1) | Mcl-1 in complex with Bim BH3 mutant I2dA | Descriptor: | ACETATE ION, Bcl-2-like protein 11, CHLORIDE ION, ... | Authors: | Fire, E, Grant, R.A, Keating, A.E. | Deposit date: | 2009-11-02 | Release date: | 2010-02-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes. Protein Sci., 19, 2010
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3KJ2
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![BU of 3kj2 by Molmil](/molmil-images/mine/3kj2) | Mcl-1 in complex with Bim BH3 mutant F4aE | Descriptor: | ACETATE ION, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Fire, E, Grant, R.A, Keating, A.E. | Deposit date: | 2009-11-02 | Release date: | 2010-02-16 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes. Protein Sci., 19, 2010
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3JPP
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![BU of 3jpp by Molmil](/molmil-images/mine/3jpp) | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-MonoMethyl Methylene triphosphate | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy({(S)-hydroxy[(1R)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | Authors: | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | Deposit date: | 2009-09-04 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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8V44
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![BU of 8v44 by Molmil](/molmil-images/mine/8v44) | |
3JPQ
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![BU of 3jpq by Molmil](/molmil-images/mine/3jpq) | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monoBromo methylene triphosphate | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | Deposit date: | 2009-09-04 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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1C52
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![BU of 1c52 by Molmil](/molmil-images/mine/1c52) | THERMUS THERMOPHILUS CYTOCHROME-C552: A NEW HIGHLY THERMOSTABLE CYTOCHROME-C STRUCTURE OBTAINED BY MAD PHASING | Descriptor: | CYTOCHROME-C552, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Than, M.E, Hof, P, Huber, R, Bourenkov, G.P, Bartunik, H.D, Buse, G, Soulimane, T. | Deposit date: | 1997-06-23 | Release date: | 1998-06-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Thermus thermophilus cytochrome-c552: A new highly thermostable cytochrome-c structure obtained by MAD phasing. J.Mol.Biol., 271, 1997
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8VFI
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![BU of 8vfi by Molmil](/molmil-images/mine/8vfi) | Ternary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | Deposit date: | 2023-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta. Nucleic Acids Res., 52, 2024
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8U7G
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![BU of 8u7g by Molmil](/molmil-images/mine/8u7g) | |
8U7F
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![BU of 8u7f by Molmil](/molmil-images/mine/8u7f) | Crystal structure of CIB_12 beta-galactosidase from Cuniculiplasma divulgatum | Descriptor: | CIB_12 Beta-galactosidase, GLYCEROL | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Yakunin, A, Golyshin, P, Savchenko, A. | Deposit date: | 2023-09-15 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of CIB_12 beta-galactosidase from Cuniculiplasma divulgatum To Be Published
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3JPO
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![BU of 3jpo by Molmil](/molmil-images/mine/3jpo) | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochloromethylene triphosphate | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | Deposit date: | 2009-09-04 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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5N85
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![BU of 5n85 by Molmil](/molmil-images/mine/5n85) | |
8TQH
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![BU of 8tqh by Molmil](/molmil-images/mine/8tqh) | MPI68 bound to Mpro of SARS-CoV-2 | Descriptor: | 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-08-07 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | MPI68 bound to SARS-CoV-2 Mpro To Be Published
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8TQJ
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![BU of 8tqj by Molmil](/molmil-images/mine/8tqj) | MPI57 bound to Mpro of SARS-CoV-2 | Descriptor: | 3C-like proteinase nsp5, benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-08-07 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | MPI57 bound to SARS-CoV-2 Mpro To Be Published
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8TQL
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![BU of 8tql by Molmil](/molmil-images/mine/8tql) | MPI54 bound to Mpro of SARS-CoV-2 | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-08-07 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | MPI54 bound to SARS-CoV-2 Mpro To Be Published
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8TQT
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![BU of 8tqt by Molmil](/molmil-images/mine/8tqt) | MPI52 bound to Mpro of SARS-CoV-2 | Descriptor: | (3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-like proteinase nsp5 | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-08-08 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | MPI52 bound to SARS-CoV-2 Mpro To Be Published
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8TQU
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![BU of 8tqu by Molmil](/molmil-images/mine/8tqu) | |