3QYG
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![BU of 3qyg by Molmil](/molmil-images/mine/3qyg) | Crystal Structure of Co-type Nitrile Hydratase beta-E56Q from Pseudomonas putida. | 分子名称: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ... | 著者 | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | 登録日 | 2011-03-03 | 公開日 | 2011-03-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida. Biochemistry, 50, 2011
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3QW8
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![BU of 3qw8 by Molmil](/molmil-images/mine/3qw8) | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor CRGC | 分子名称: | 1,2-ETHANEDIOL, Botulinum neurotoxin type A, SODIUM ION, ... | 著者 | Kumaran, D, Swaminathan, S. | 登録日 | 2011-02-27 | 公開日 | 2012-02-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68, 2012
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3QW5
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![BU of 3qw5 by Molmil](/molmil-images/mine/3qw5) | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRGF | 分子名称: | Botulinum neurotoxin type A, SULFATE ION, ZINC ION, ... | 著者 | Kumaran, D, Swaminathan, S. | 登録日 | 2011-02-26 | 公開日 | 2012-02-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68, 2012
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3QWH
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![BU of 3qwh by Molmil](/molmil-images/mine/3qwh) | Crystal structure of the 17beta-hydroxysteroid dehydrogenase from Cochliobolus lunatus in complex with NADPH and kaempferol | 分子名称: | 17beta-hydroxysteroid dehydrogenase, 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Cassetta, A, Lamba, D, Krastanova, I, Stojan, J, Rizner, T.L, Kristan, K, Brunskole, M. | 登録日 | 2011-02-28 | 公開日 | 2012-03-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Structural basis for inhibition of 17 beta-hydroxysteroid dehydrogenases by phytoestrogens: The case of fungal 17 beta-HSDcl. J. Steroid Biochem. Mol. Biol., 171, 2017
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3QZ5
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![BU of 3qz5 by Molmil](/molmil-images/mine/3qz5) | Crystal Structure of Co-type Nitrile Hydratase alpha-E168Q from Pseudomonas putida. | 分子名称: | COBALT (III) ION, Co-type Nitrile Hydratase alpha subunit, Co-type Nitrile Hydratase beta subunit, ... | 著者 | Brodkin, H.R, Novak, W.R.P, Ringe, D, Petsko, G.A. | 登録日 | 2011-03-04 | 公開日 | 2011-03-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida. Biochemistry, 50, 2011
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3R0N
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![BU of 3r0n by Molmil](/molmil-images/mine/3r0n) | Crystal Structure of the Immunoglobulin variable domain of Nectin-2 | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Poliovirus receptor-related protein 2 | 著者 | Ramagopal, U.A, Samanta, D, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | 登録日 | 2011-03-08 | 公開日 | 2011-04-27 | 最終更新日 | 2012-11-07 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structure of Nectin-2 reveals determinants of homophilic and heterophilic interactions that control cell-cell adhesion. Proc.Natl.Acad.Sci.USA, 109, 2012
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3R0W
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![BU of 3r0w by Molmil](/molmil-images/mine/3r0w) | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors. | 分子名称: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | 著者 | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | 登録日 | 2011-03-09 | 公開日 | 2012-04-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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3R25
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![BU of 3r25 by Molmil](/molmil-images/mine/3r25) | Crystal structure of enolase superfamily member from Vibrionales bacterium complexed with Mg and Glycerol in the active site | 分子名称: | GLYCEROL, MAGNESIUM ION, mandelate racemase / muconate lactonizing enzyme | 著者 | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | 登録日 | 2011-03-13 | 公開日 | 2012-03-14 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.603 Å) | 主引用文献 | Crystal structure of enolase superfamily member from VIBRIONALES BACTERIUM complexed with Mg and Glycerol in the active site To be Published
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3RIJ
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![BU of 3rij by Molmil](/molmil-images/mine/3rij) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | 分子名称: | GLYCEROL, SC_2cx5 | 著者 | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | 登録日 | 2011-04-13 | 公開日 | 2011-11-09 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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3RIQ
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![BU of 3riq by Molmil](/molmil-images/mine/3riq) | Siphovirus 9NA tailspike receptor binding domain | 分子名称: | GLYCEROL, Tailspike protein | 著者 | Andres, D, Roske, Y, Doering, C, Heinemann, U, Seckler, R, Barbirz, S. | 登録日 | 2011-04-14 | 公開日 | 2012-02-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Tail morphology controls DNA release in two Salmonella phages with one lipopolysaccharide receptor recognition system. Mol.Microbiol., 83, 2012
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7KCI
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![BU of 7kci by Molmil](/molmil-images/mine/7kci) | DETERMINANTS OF REPRESSOR/OPERATOR RECOGNITION FROM THE STRUCTURE OF THE TRP OPERATOR BINDING SITE | 分子名称: | Self-complementary deoxyoligonucleotide decamer d(CCACTAGTGG) | 著者 | Shakked, Z, Guzikevich-Guerstein, G, Frolow, F, Rabinovich, D, Joachimiak, A, Sigler, P.B. | 登録日 | 1994-09-12 | 公開日 | 2020-10-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Determinants of repressor/operator recognition from the structure of the trp operator binding site. Nature, 368, 1994
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7JVB
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![BU of 7jvb by Molmil](/molmil-images/mine/7jvb) | Crystal structure of the SARS-CoV-2 spike receptor-binding domain (RBD) with nanobody Nb20 | 分子名称: | CACODYLATE ION, Nanobody Nb20, Spike protein S1 | 著者 | Xiang, Y, Xiao, Z, Liu, H, Sang, Z, Schneidman-Duhovny, D, Zhang, C, Shi, Y. | 登録日 | 2020-08-20 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.287 Å) | 主引用文献 | Versatile and multivalent nanobodies efficiently neutralize SARS-CoV-2. Science, 370, 2020
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1DPI
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![BU of 1dpi by Molmil](/molmil-images/mine/1dpi) | |
7JYC
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![BU of 7jyc by Molmil](/molmil-images/mine/7jyc) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir | 分子名称: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | 著者 | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | 登録日 | 2020-08-30 | 公開日 | 2020-09-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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3S1S
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![BU of 3s1s by Molmil](/molmil-images/mine/3s1s) | Characterization and crystal structure of the type IIG restriction endonuclease BpuSI | 分子名称: | 1,2-ETHANEDIOL, IODIDE ION, MANGANESE (II) ION, ... | 著者 | Shen, B.W, Xu, D, Chan, S.-H, Zheng, Y, Zhu, Y, Xu, S.-Y, Stoddard, B.L. | 登録日 | 2011-05-16 | 公開日 | 2011-07-13 | 最終更新日 | 2011-10-19 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Characterization and crystal structure of the type IIG restriction endonuclease RM.BpuSI. Nucleic Acids Res., 39, 2011
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3SKQ
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![BU of 3skq by Molmil](/molmil-images/mine/3skq) | |
3SBN
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![BU of 3sbn by Molmil](/molmil-images/mine/3sbn) | trichovirin I-4A in polar environment at 0.9 Angstroem | 分子名称: | ACETONITRILE, METHANOL, Trichovirin I-4A | 著者 | Gessmann, R, Axford, D, Petratos, K. | 登録日 | 2011-06-06 | 公開日 | 2011-12-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | 主引用文献 | Four complete turns of a curved 310-helix at atomic resolution: The crystal structure of the peptaibol trichovirin I-4A in polar environment suggests a transition to alpha-helix for membrane function Acta Crystallogr.,Sect.D, 68, 2012
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7GQH
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![BU of 7gqh by Molmil](/molmil-images/mine/7gqh) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1509711879 | 分子名称: | 6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GO5
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![BU of 7go5 by Molmil](/molmil-images/mine/7go5) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198275935 | 分子名称: | 6,8-bis(fluoranyl)chromene, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GOQ
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![BU of 7goq by Molmil](/molmil-images/mine/7goq) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z220996120 | 分子名称: | DIMETHYL SULFOXIDE, N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GPE
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![BU of 7gpe by Molmil](/molmil-images/mine/7gpe) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z760031264 | 分子名称: | 4-(1,2,4-oxadiazol-5-yl)aniline, DIMETHYL SULFOXIDE, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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3S5K
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![BU of 3s5k by Molmil](/molmil-images/mine/3s5k) | Crystal structures of falcilysin, a M16 metalloprotease from the malaria parasite Plasmodium falciparum | 分子名称: | Falcilysin, ZINC ION | 著者 | Morgunova, E, Ponpuak, M, Istvan, E, Popov, A, Goldberg, D, Eneqvist, T. | 登録日 | 2011-05-23 | 公開日 | 2012-05-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Crystal structures of falcilysin, a M16 metalloprotease from
the malaria parasite Plasmodium falciparum To be Published
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7GPK
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![BU of 7gpk by Molmil](/molmil-images/mine/7gpk) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z905434478 | 分子名称: | 1-[(thiophen-3-yl)methyl]piperidin-4-ol, DIMETHYL SULFOXIDE, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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7GPX
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![BU of 7gpx by Molmil](/molmil-images/mine/7gpx) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with NCL-00024661 | 分子名称: | 5-bromo-2-hydroxybenzonitrile, DIMETHYL SULFOXIDE, Protease 3C | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | 登録日 | 2023-08-24 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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3S63
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![BU of 3s63 by Molmil](/molmil-images/mine/3s63) | Saposin-like protein Na-SLP-1 | 分子名称: | Saposin-like protein | 著者 | Willis, C, Wang, C.K, Osman, A, Simon, A, Mulvenna, J, Pickering, D, Riboldi-Tunicliffe, A, Jones, M.K, Loukas, A, Hofmann, A. | 登録日 | 2011-05-24 | 公開日 | 2012-01-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Insights into the membrane interactions of the saposin-like proteins Na-SLP-1 and Ac-SLP-1 from human and dog hookworm. Plos One, 6, 2011
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