1ERA
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3HEG
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![BU of 3heg by Molmil](/molmil-images/mine/3heg) | P38 in complex with Sorafenib | 分子名称: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14 | 著者 | Namboodiri, H.V, Karpusas, M. | 登録日 | 2009-05-08 | 公開日 | 2009-11-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases. Biochemistry, 49, 2010
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4GUP
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![BU of 4gup by Molmil](/molmil-images/mine/4gup) | Structure of MHC-class I related molecule MR1 | 分子名称: | 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ... | 著者 | Patel, O, Le Nours, J, Rossjohn, J. | 登録日 | 2012-08-29 | 公開日 | 2012-10-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | MR1 presents microbial vitamin B metabolites to MAIT cells Nature, 491, 2012
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5QFE
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![BU of 5qfe by Molmil](/molmil-images/mine/5qfe) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000509a | 分子名称: | (2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.563 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5QG8
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![BU of 5qg8 by Molmil](/molmil-images/mine/5qg8) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000555a | 分子名称: | (2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.634 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5QGF
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![BU of 5qgf by Molmil](/molmil-images/mine/5qgf) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000539a | 分子名称: | 1-[(3S,3aS,8bS)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.513 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5QFK
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![BU of 5qfk by Molmil](/molmil-images/mine/5qfk) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000509a | 分子名称: | (2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.594 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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3W32
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![BU of 3w32 by Molmil](/molmil-images/mine/3w32) | EGFR kinase domain complexed with compound 20a | 分子名称: | 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | 著者 | Sogabe, S, Kawakita, Y. | 登録日 | 2012-12-07 | 公開日 | 2013-03-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors Bioorg.Med.Chem., 21, 2013
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2IXZ
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![BU of 2ixz by Molmil](/molmil-images/mine/2ixz) | Solution structure of the apical stem-loop of the human hepatitis B virus encapsidation signal | 分子名称: | 5'-R(*GP*CP*UP*GP*UP*GP*CP*CP)-3' | 著者 | Flodell, S, Petersen, M, Girard, F, Zdunek, J, Kidd-Ljunggren, K, Schleucher, J, Wijmenga, S.S. | 登録日 | 2006-07-11 | 公開日 | 2006-09-06 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the apical stem-loop of the human hepatitis B virus encapsidation signal. Nucleic Acids Res., 34, 2006
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5QFF
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![BU of 5qff by Molmil](/molmil-images/mine/5qff) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000515a | 分子名称: | 1-[(3S,3aS,8bS)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.703 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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1JMP
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![BU of 1jmp by Molmil](/molmil-images/mine/1jmp) | Solution Structure of the Viscotoxin B | 分子名称: | viscotoxin B | 著者 | Coulon, A, Mosbah, A, Bernard, C, Rouge, P, Urech, K, Darbon, H. | 登録日 | 2001-07-19 | 公開日 | 2003-11-11 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Comparative membrane interaction study of viscotoxins A3, A2 and B from mistletoe (Viscum album) and connections with their structures Biochem.J., 374, 2003
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2JMN
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![BU of 2jmn by Molmil](/molmil-images/mine/2jmn) | NMR structure of human insulin mutant His-B10-Asp, Pro-B28-Lys, Lys-B29-Pro, 20 structures | 分子名称: | Insulin A chain, Insulin B chain | 著者 | Hua, Q.X, Hu, S.Q, Frank, B.H, Jia, W.H, Chu, Y.C, Wang, S.H, Burke, G.T, Katsoyannis, P.G, Weiss, M.A. | 登録日 | 2006-11-21 | 公開日 | 2006-12-05 | 最終更新日 | 2023-12-20 | 実験手法 | SOLUTION NMR | 主引用文献 | Mapping the functional surface of insulin by design: structure and function of a novel A-chain analogue. J.Mol.Biol., 264, 1996
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2MVG
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1K8H
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1C9A
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![BU of 1c9a by Molmil](/molmil-images/mine/1c9a) | SOLUTION STRUCTURE OF NEUROMEDIN B | 分子名称: | NEUROMEDIN B | 著者 | Lee, S, Kim, Y. | 登録日 | 1999-08-01 | 公開日 | 1999-11-11 | 最終更新日 | 2022-02-16 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of neuromedin B by (1)H nuclear magnetic resonance spectroscopy. FEBS Lett., 460, 1999
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1C98
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![BU of 1c98 by Molmil](/molmil-images/mine/1c98) | SOLUTION STRUCTURE OF NEUROMEDIN B | 分子名称: | NEUROMEDIN B | 著者 | Lee, S, Kim, Y. | 登録日 | 1999-08-01 | 公開日 | 1999-08-11 | 最終更新日 | 2022-02-16 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of neuromedin B by (1)H nuclear magnetic resonance spectroscopy. FEBS Lett., 460, 1999
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3WC5
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![BU of 3wc5 by Molmil](/molmil-images/mine/3wc5) | Carboxypeptidase B in complex with DD9 | 分子名称: | (2R)-7-amino-2-(selanylmethyl)heptanoic acid, CACODYLATE ION, Carboxypeptidase B, ... | 著者 | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | 登録日 | 2013-05-24 | 公開日 | 2013-10-02 | 最終更新日 | 2022-08-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme. J.Med.Chem., 56, 2013
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2GHG
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![BU of 2ghg by Molmil](/molmil-images/mine/2ghg) | h-CHK1 complexed with A431994 | 分子名称: | 5-{5-[(S)-2-AMINO-3-(1H-INDOL-3-YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Serine/threonine-protein kinase Chk1 | 著者 | Park, C. | 登録日 | 2006-03-27 | 公開日 | 2007-03-27 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Discovery and SAR of oxindole-pyridine-based protein kinase B/Akt inhibitors for treating cancers. Bioorg.Med.Chem.Lett., 16, 2006
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1CIN
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![BU of 1cin by Molmil](/molmil-images/mine/1cin) | THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS | 分子名称: | (4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ... | 著者 | Smith, G.M, Alexander, R.S, Christianson, D.W, Mckeever, B.M, Ponticello, G.S, Springer, J.P, Randall, W.C, Baldwin, J.J, Habecker, C.N. | 登録日 | 1993-10-20 | 公開日 | 1994-01-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors. Protein Sci., 3, 1994
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1CIL
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![BU of 1cil by Molmil](/molmil-images/mine/1cil) | THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS | 分子名称: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, CARBONIC ANHYDRASE II, ZINC ION | 著者 | Smith, G.M, Alexander, R.S, Christianson, D.W, Mckeever, B.M, Ponticello, G.S, Springer, J.P, Randall, W.C, Baldwin, J.J, Habecker, C.N. | 登録日 | 1993-10-20 | 公開日 | 1994-01-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors. Protein Sci., 3, 1994
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2F1N
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3WAB
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![BU of 3wab by Molmil](/molmil-images/mine/3wab) | Carboxypeptidase B in complex with DD2 | 分子名称: | (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid, CACODYLATE ION, Carboxypeptidase B, ... | 著者 | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | 登録日 | 2013-05-01 | 公開日 | 2013-10-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.154 Å) | 主引用文献 | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme. J.Med.Chem., 56, 2013
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3WC7
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![BU of 3wc7 by Molmil](/molmil-images/mine/3wc7) | Carboxypeptidase B in complex with EF6265 | 分子名称: | (2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid, Carboxypeptidase B, ZINC ION | 著者 | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | 登録日 | 2013-05-24 | 公開日 | 2013-10-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme. J.Med.Chem., 56, 2013
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1DV9
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![BU of 1dv9 by Molmil](/molmil-images/mine/1dv9) | STRUCTURAL CHANGES ACCOMPANYING PH-INDUCED DISSOCIATION OF THE B-LACTOGLOBULIN DIMER | 分子名称: | BETA-LACTOGLOBULIN | 著者 | Uhrinova, S, Smith, M.H, Jameson, G.B, Uhrin, D, Sawyer, L, Barlow, P.N. | 登録日 | 2000-01-20 | 公開日 | 2000-02-09 | 最終更新日 | 2022-02-16 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural changes accompanying pH-induced dissociation of the beta-lactoglobulin dimer. Biochemistry, 39, 2000
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1CIM
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![BU of 1cim by Molmil](/molmil-images/mine/1cim) | THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS | 分子名称: | (4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ... | 著者 | Smith, G.M, Alexander, R.S, Christianson, D.W, Mckeever, B.M, Ponticello, G.S, Springer, J.P, Randall, W.C, Baldwin, J.J, Habecker, C.N. | 登録日 | 1993-10-20 | 公開日 | 1994-01-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors. Protein Sci., 3, 1994
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