6DGG
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4Z82
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![BU of 4z82 by Molmil](/molmil-images/mine/4z82) | Cysteine bound rat cysteine dioxygenase C164S variant at pH 8.1 | 分子名称: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION | 著者 | Fellner, M, Tchesnokov, E.P, Siakkou, E, Rutledge, M.T, Kanitz, M, Jameson, G.N.L, Wilbanks, S.M. | 登録日 | 2015-04-08 | 公開日 | 2016-06-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Influence of cysteine 164 on active site structure in rat cysteine dioxygenase. J.Biol.Inorg.Chem., 21, 2016
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6W9X
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6W6S
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![BU of 6w6s by Molmil](/molmil-images/mine/6w6s) | WT HTLV-1 Protease in Complex with Phosphonated UMass6 (PU6) | 分子名称: | HTLV-1 Protease, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2020-03-17 | 公開日 | 2021-03-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | To Be Determined To Be Published
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5OKT
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![BU of 5okt by Molmil](/molmil-images/mine/5okt) | Crystal structure of human Casein Kinase I delta in complex with IWP-2 | 分子名称: | ACETATE ION, Casein kinase I isoform delta, GLYCEROL, ... | 著者 | Pichlo, C, Brunstein, E, Baumann, U. | 登録日 | 2017-07-25 | 公開日 | 2018-04-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Discovery of Inhibitor of Wnt Production 2 (IWP-2) and Related Compounds As Selective ATP-Competitive Inhibitors of Casein Kinase 1 (CK1) delta / epsilon. J. Med. Chem., 61, 2018
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3E7I
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![BU of 3e7i by Molmil](/molmil-images/mine/3e7i) | Structure of murine inos oxygenase domain with inhibitor AR-C94864 | 分子名称: | (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | 著者 | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | 登録日 | 2008-08-18 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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2Y81
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![BU of 2y81 by Molmil](/molmil-images/mine/2y81) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | 分子名称: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | 登録日 | 2011-02-02 | 公開日 | 2011-03-16 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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3E7T
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![BU of 3e7t by Molmil](/molmil-images/mine/3e7t) | Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 | 分子名称: | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE, 7,8-DIHYDROBIOPTERIN, Nitric oxide synthase, ... | 著者 | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | 登録日 | 2008-08-18 | 公開日 | 2008-10-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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8CEA
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![BU of 8cea by Molmil](/molmil-images/mine/8cea) | Cytochrome c maturation complex CcmABCD, E154Q | 分子名称: | Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, Heme exporter protein C, ... | 著者 | Ilcu, L, Zhang, L, Einsle, O. | 登録日 | 2023-02-01 | 公開日 | 2023-09-06 | 実験手法 | ELECTRON MICROSCOPY (3.94 Å) | 主引用文献 | Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation. Nat Commun, 14, 2023
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2V62
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![BU of 2v62 by Molmil](/molmil-images/mine/2v62) | Structure of vaccinia-related kinase 2 | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, SERINE/THREONINE-PROTEIN KINASE VRK2, ... | 著者 | Bunkoczi, G, Eswaran, J, Cooper, C, Fedorov, O, Keates, T, Rellos, P, Salah, E, Savitsky, P, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Knapp, S. | 登録日 | 2007-07-13 | 公開日 | 2007-08-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure of the Pseudokinase Vrk3 Reveals a Degraded Catalytic Site, a Highly Conserved Kinase Fold, and a Putative Regulatory Binding Site. Structure, 17, 2009
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5NX3
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![BU of 5nx3 by Molmil](/molmil-images/mine/5nx3) | Combinatorial Engineering of Proteolytically Resistant APPI Variants that Selectively Inhibit Human Kallikrein 6 for Cancer Therapy | 分子名称: | Amyloid-beta A4 protein, Kallikrein-6 | 著者 | Shahar, A, Sananes, A, Radisky, E.S, Papo, N. | 登録日 | 2017-05-09 | 公開日 | 2018-05-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.296 Å) | 主引用文献 | A potent, proteolysis-resistant inhibitor of kallikrein-related peptidase 6 (KLK6) for cancer therapy, developed by combinatorial engineering. J.Biol.Chem., 293, 2018
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8CE1
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![BU of 8ce1 by Molmil](/molmil-images/mine/8ce1) | Cytochrome c maturation complex CcmABCD | 分子名称: | Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, Heme exporter protein C, ... | 著者 | Ilcu, L, Zhang, L, Einsle, O. | 登録日 | 2023-02-01 | 公開日 | 2023-09-06 | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | 主引用文献 | Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation. Nat Commun, 14, 2023
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6WA2
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![BU of 6wa2 by Molmil](/molmil-images/mine/6wa2) | Crystal structure of EGFR(T790M/V948R) in complex with LN3753 | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2020-03-24 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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6WAK
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![BU of 6wak by Molmil](/molmil-images/mine/6wak) | A crystal structure of EGFR(T790M/V948R) in complex with LN3754 | 分子名称: | Epidermal growth factor receptor, MAGNESIUM ION, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide, ... | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2020-03-25 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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4PCP
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![BU of 4pcp by Molmil](/molmil-images/mine/4pcp) | Crystal structure of Phosphotriesterase variant R0 | 分子名称: | CACODYLATE ION, Phosphotriesterase variant PTE-R0, ZINC ION | 著者 | Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J. | 登録日 | 2014-04-16 | 公開日 | 2015-05-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | The role of protein dynamics in the evolution of new enzyme function. Nat. Chem. Biol., 12, 2016
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2VBP
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![BU of 2vbp by Molmil](/molmil-images/mine/2vbp) | Isopenicillin N synthase with substrate analogue L,L,L-ACAB (unexposed) | 分子名称: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine, ... | 著者 | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | 登録日 | 2007-09-14 | 公開日 | 2008-11-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystallographic Studies on the Binding of Selectively Deuterated Lld- and Lll-Substrate Epimers by Isopenicillin N Synthase. Biochem.Biophys.Res.Commun., 398, 2010
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3EAO
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![BU of 3eao by Molmil](/molmil-images/mine/3eao) | Crystal structure of recombinant rat selenoprotein thioredoxin reductase 1 with oxidized C-terminal tail | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1, ... | 著者 | Sandalova, T, Cheng, Q, Lindqvist, Y, Arner, E. | 登録日 | 2008-08-26 | 公開日 | 2008-12-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Crystal structure and catalysis of the selenoprotein thioredoxin reductase 1. J.Biol.Chem., 284, 2009
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5O1R
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4GUM
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![BU of 4gum by Molmil](/molmil-images/mine/4gum) | Cystal structure of locked-trimer of human MIF | 分子名称: | CHLORIDE ION, Macrophage migration inhibitory factor | 著者 | Fan, C, Lolis, E. | 登録日 | 2012-08-29 | 公開日 | 2013-07-03 | 最終更新日 | 2020-11-18 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | MIF intersubunit disulfide mutant antagonist supports activation of CD74 by endogenous MIF trimer at physiologic concentrations. Proc.Natl.Acad.Sci.USA, 110, 2013
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6W30
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![BU of 6w30 by Molmil](/molmil-images/mine/6w30) | Protein Tyrosine Phosphatase 1B Bound to Amorphadiene | 分子名称: | Amorphadiene, GLYCEROL, MAGNESIUM ION, ... | 著者 | Sarkar, A, Kim, E.Y, Hongdusit, A, Sankaran, B, Fox, J. | 登録日 | 2020-03-08 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Microbially Guided Discovery and Biosynthesis of Biologically Active Natural Products. Acs Synth Biol, 10, 2021
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5TX6
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8CE5
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![BU of 8ce5 by Molmil](/molmil-images/mine/8ce5) | Cytochrome c maturation complex CcmABCD, E154Q, ATP-bound | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ... | 著者 | Ilcu, L, Zhang, L, Einsle, O. | 登録日 | 2023-02-01 | 公開日 | 2023-09-06 | 実験手法 | ELECTRON MICROSCOPY (3.62 Å) | 主引用文献 | Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation. Nat Commun, 14, 2023
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3EDF
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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 | 分子名称: | 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 | 著者 | Kaiser, S.E, Feng, J, Stewart, A.E. | 登録日 | 2017-01-08 | 公開日 | 2017-05-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.062 Å) | 主引用文献 | Targeting S-adenosylmethionine biosynthesis with a novel allosteric inhibitor of Mat2A. Nat. Chem. Biol., 13, 2017
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6VXW
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