3O9E
 
 | | Crystal Structure of wild-type HIV-1 Protease in complex with af60 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | | 著者 | Schiffer, C.A, Nalam, M.N.L. | | 登録日 | 2010-08-04 | | 公開日 | 2011-08-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
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3O99
 | | Crystal Structure of wild-type HIV-1 Protease in complex with kd13 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | | 著者 | Schiffer, C.A, Nalam, M.N.L. | | 登録日 | 2010-08-04 | | 公開日 | 2011-08-10 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
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3O9I
 | | Crystal Structure of wild-type HIV-1 Protease in complex with af61 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, PHOSPHATE ION, Protease | | 著者 | Schiffer, C.A, Nalam, M.N.L. | | 登録日 | 2010-08-04 | | 公開日 | 2011-08-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
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3O9D
 | | Crystal Structure of wild-type HIV-1 Protease in complex with kd19 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | | 著者 | Schiffer, C.A, Nalam, M.N.L. | | 登録日 | 2010-08-04 | | 公開日 | 2011-08-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
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3OFU
 | | Crystal Structure of Cytochrome P450 CYP101C1 | | 分子名称: | (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Zhou, W, Ma, M, Bell, S.G, Yang, W, Hao, Y, Rees, N.H, Bartlam, M, Wong, L.-L, Rao, Z. | | 登録日 | 2010-08-16 | | 公開日 | 2011-05-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural Analysis of CYP101C1 from Novosphingobium aromaticivorans DSM12444.
Chembiochem, 12, 2011
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3P4U
 | | Crystal structure of active caspase-6 in complex with Ac-VEID-CHO inhibitor | | 分子名称: | Ac-VEID-CHO inhibitor, Caspase-6 | | 著者 | Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A. | | 登録日 | 2010-10-07 | | 公開日 | 2011-09-28 | | 最終更新日 | 2015-12-02 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structures of active and inhibitor-bound human Casp6
To be Published
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3SA5
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3SDG
 | | Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | | 分子名称: | 4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, HTH-type transcriptional regulator EthR | | 著者 | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | | 登録日 | 2011-06-09 | | 公開日 | 2011-12-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
J.Med.Chem., 55, 2012
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3SA6
 | | Crystal structure of wild-type HIV-1 protease in complex with AF71 | | 分子名称: | 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-([(2S)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide, PHOSPHATE ION, Protease | | 著者 | Schiffer, C.A, Nalam, M.N.L. | | 登録日 | 2011-06-02 | | 公開日 | 2012-06-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
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5FKU
 | | cryo-EM structure of the E. coli replicative DNA polymerase complex in DNA free state (DNA polymerase III alpha, beta, epsilon, tau complex) | | 分子名称: | DNA POLYMERASE III SUBUNIT ALPHA, DNA POLYMERASE III SUBUNIT BETA, DNA POLYMERASE III SUBUNIT EPSILON, ... | | 著者 | Fernandez-Leiro, R, Conrad, J, Scheres, S.H.W, Lamers, M.H. | | 登録日 | 2015-10-20 | | 公開日 | 2015-11-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (8.34 Å) | | 主引用文献 | cryo-EM structures of theE. colireplicative DNA polymerase reveal its dynamic interactions with the DNA sliding clamp, exonuclease andtau.
Elife, 4, 2015
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2WLV
 | | Structure of the N-terminal capsid domain of HIV-2 | | 分子名称: | GAG POLYPROTEIN | | 著者 | Price, A.J, Marzetta, F, Lammers, M, Ylinen, L.M.J, Schaller, T, Wilson, S.J, Towers, G.J, James, L.C. | | 登録日 | 2009-06-26 | | 公開日 | 2009-09-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Active Site Remodelling Switches HIV Specificity of Antiretroviral Trimcyp
Nat.Struct.Mol.Biol., 16, 2009
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3OMV
 | | Crystal structure of c-raf (raf-1) | | 分子名称: | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime, RAF proto-oncogene serine/threonine-protein kinase | | 著者 | Hatzivassiliou, G, Song, K, Yen, I, Brandhuber, B.J, Anderson, D.J, Alvarado, R, Ludlam, M.J, Stokoe, D, Gloor, S.L, Vigers, G.P.A, Morales, T, Aliagas, I, Liu, B, Sideris, S, Hoeflich, K.P, Jaiswal, B.S, Seshagiri, S, Koeppen, H, Belvin, M, Friedman, L.S, Malek, S. | | 登録日 | 2010-08-27 | | 公開日 | 2010-09-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | RAF inhibitors prime wild-type RAF to activate the MAPK pathway and enhance growth.
Nature, 464, 2010
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5FKV
 | | cryo-EM structure of the E. coli replicative DNA polymerase complex bound to DNA (DNA polymerase III alpha, beta, epsilon, tau complex) | | 分子名称: | DNA POLYMERASE III BETA, DNA POLYMERASE III EPSILON, DNA POLYMERASE III SUBUNIT ALPHA, ... | | 著者 | Fernandez-Leiro, R, Conrad, J, Scheres, S.H.W, Lamers, M.H. | | 登録日 | 2015-10-20 | | 公開日 | 2015-11-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (8.04 Å) | | 主引用文献 | cryo-EM structures of theE. colireplicative DNA polymerase reveal its dynamic interactions with the DNA sliding clamp, exonuclease andtau.
Elife, 4, 2015
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3RIN
 | | p38 kinase crystal structure in complex with small molecule inhibitor | | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide | | 著者 | Segarra, V, Eastwood, P, Roca, R, Fisher, M, Lamers, M. | | 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 (2.2 Å) | | 主引用文献 | Indolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode.
Bioorg.Med.Chem.Lett., 21, 2011
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3R4B
 | | Crystal Structure of Wild-type HIV-1 Protease in Complex With TMC310911 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate, HIV-1 protease, PHOSPHATE ION | | 著者 | Schiffer, C.A, Nalam, M.N.L. | | 登録日 | 2011-03-17 | | 公開日 | 2011-09-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | TMC310911, a Novel Human Immunodeficiency Virus Type 1 Protease Inhibitor, Shows In Vitro an Improved Resistance Profile and Higher Genetic Barrier to Resistance Compared with Current Protease Inhibitors.
Antimicrob.Agents Chemother., 55, 2011
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5FKW
 | | cryo-EM structure of the E. coli replicative DNA polymerase complex bound to DNA (DNA polymerase III alpha, beta, epsilon) | | 分子名称: | DNA POLYMERASE III ALPHA, DNA POLYMERASE III BETA, DNA POLYMERASE III EPSILON, ... | | 著者 | Fernandez-Leiro, R, Conrad, J, Scheres, S.H.W, Lamers, M.H. | | 登録日 | 2015-10-20 | | 公開日 | 2015-11-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (7.3 Å) | | 主引用文献 | cryo-EM structures of theE. colireplicative DNA polymerase reveal its dynamic interactions with the DNA sliding clamp, exonuclease andtau.
Elife, 4, 2015
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3OFT
 | | Crystal Structure of Cytochrome P450 CYP101C1 | | 分子名称: | (2R,5R)-hexane-2,5-diol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Zhou, W, Ma, M, Bell, S.G, Yang, W, Hao, Y, Rees, N.H, Bartlam, M, Wong, L.-L, Rao, Z. | | 登録日 | 2010-08-16 | | 公開日 | 2011-07-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Analysis of CYP101C1 from Novosphingobium aromaticivorans DSM12444.
Chembiochem, 12, 2011
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2WLW
 | | Structure of the N-terminal capsid domain of HIV-2 | | 分子名称: | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE | | 著者 | Price, A.J, Marzetta, F, Lammers, M, Ylinen, L.M.J, Schaller, T, Wilson, S.J, Towers, G.J, James, L.C. | | 登録日 | 2009-06-26 | | 公開日 | 2009-09-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Active Site Remodelling Switches HIV Specificity of Antiretroviral Trimcyp
Nat.Struct.Mol.Biol., 16, 2009
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1GHD
 | | Crystal structure of the glutaryl-7-aminocephalosporanic acid acylase by mad phasing | | 分子名称: | GLUTARYL-7-AMINOCEPHALOSPORANIC ACID ACYLASE | | 著者 | Ding, Y, Jiang, W, Mao, X, He, H, Zhang, S, Tang, H, Bartlam, M, Ye, S, Jiang, F, Liu, Y, Zhao, G, Rao, Z. | | 登録日 | 2000-12-07 | | 公開日 | 2003-07-08 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Affinity alkylation of the Trp-B4 residue of the beta -subunit of the glutaryl 7-aminocephalosporanic acid acylase of Pseudomonas sp. 130.
J.Biol.Chem., 277, 2002
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3S3I
 | | p38 kinase crystal structure in complex with small molecule inhibitor | | 分子名称: | 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | | 著者 | Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M. | | 登録日 | 2011-05-18 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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3AKB
 | | Structural basis for prokaryotic calcium-mediated regulation by a Streptomyces coelicolor calcium-binding protein | | 分子名称: | CALCIUM ION, Putative calcium binding protein | | 著者 | Zhao, X, Pang, H, Wang, S, Zhou, W, Yang, K, Bartlam, M. | | 登録日 | 2010-07-09 | | 公開日 | 2011-01-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural basis for prokaryotic calciummediated regulation by a Streptomyces coelicolor calcium binding protein
Protein Cell, 1, 2010
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3NV5
 | | Crystal Structure of Cytochrome P450 CYP101D2 | | 分子名称: | Cytochrome P450, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Yang, W, Bell, S.G, Wang, H, Zhou, W.H, Bartlam, M, Wong, L.L, Rao, Z. | | 登録日 | 2010-07-08 | | 公開日 | 2010-11-03 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | The structure of CYP101D2 unveils a potential path for substrate entry into the active site
Biochem.J., 433, 2011
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3PSX
 | | Crystal structure of the KT2 mutant of cytochrome P450 BM3 | | 分子名称: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Yang, W, Whitehouse, C.J.C, Yorke, J.A, Bell, S.G, Zhou, W, Bartlam, M, Wong, L.L, Rao, Z. | | 登録日 | 2010-12-02 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant
Dalton Trans, 40, 2011
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2W3L
 | | Crystal Structure of Chimaeric Bcl2-xL and Phenyl Tetrahydroisoquinoline Amide Complex | | 分子名称: | 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide, APOPTOSIS REGULATOR BCL-2 | | 著者 | Porter, J, Payne, A, de Candole, B, Ford, D, Hutchinson, B, Trevitt, G, Turner, J, Edwards, C, Watkins, C, Whitcombe, I, Davis, J, Stubberfield, C, Fisher, M, Lamers, M. | | 登録日 | 2008-11-13 | | 公開日 | 2008-12-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Tetrahydroisoquinoline Amide Substituted Phenyl Pyrazoles as Selective Bcl-2 Inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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