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2OHT
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BU of 2oht by Molmil
X-ray crystal structure of beta secretase complexed with compound 7
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
2HAH
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BU of 2hah by Molmil
The structure of FIV 12S protease in complex with TL-3
分子名称: Protease, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
著者Heaslet, H, Lin, Y.C, Elder, J.H, Stout, C.D.
登録日2006-06-12
公開日2007-02-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of an FIV/HIV chimeric protease complexed with the broad-based inhibitor, TL-3.
Retrovirology, 4, 2007
2OJI
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BU of 2oji by Molmil
Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
著者Xie, X, Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OK1
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BU of 2ok1 by Molmil
Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 10, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
著者Xie, X, Jacobs, M.D.
登録日2007-01-15
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2HED
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BU of 2hed by Molmil
CONTRIBUTION OF WATER MOLECULES IN THE INTERIOR OF A PROTEIN TO THE CONFORMATIONAL STABILITY
分子名称: LYSOZYME, SODIUM ION
著者Takano, K, Funahashi, J, Yamagata, Y, Fujii, S, Yutani, K.
登録日1997-09-16
公開日1998-01-14
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Contribution of water molecules in the interior of a protein to the conformational stability.
J.Mol.Biol., 274, 1997
2OMG
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BU of 2omg by Molmil
Structure of human insulin cocrystallized with protamine and urea
分子名称: CHLORIDE ION, FORMAMIDE, Insulin A chain, ...
著者Norrman, M, Schluckebier, G.
登録日2007-01-22
公開日2007-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural characterization of insulin NPH formulations.
EUR.J.PHARM.SCI., 30, 2007
2ONL
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BU of 2onl by Molmil
Crystal Structure of the p38a-MAPKAP kinase 2 Heterodimer
分子名称: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
著者Ter Haar, E.
登録日2007-01-24
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
2H73
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BU of 2h73 by Molmil
Crystal Structure of Thioredoxin Mutant D43E in Hexagonal (p61) Space Group
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
著者Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2006-06-01
公開日2007-05-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Thioredoxin Mutant D43E in Hexagonal (p61) Space Group
To be Published
2GNL
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BU of 2gnl by Molmil
PKA threefold mutant model of Rho-kinase with inhibitor H-1152P
分子名称: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ...
著者Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D.
登録日2006-04-10
公開日2006-05-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
2OLG
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BU of 2olg by Molmil
Crystal structure of the serine protease domain of prophenoloxidase activating factor-I in a zymogen form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Pro-phenoloxidase activating enzyme-I, ...
著者Ha, N.C, Piao, S.
登録日2007-01-19
公開日2007-02-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the serine protease domain of prophenoloxidase activating factor-I
J.Biol.Chem., 282, 2007
2OLI
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BU of 2oli by Molmil
Crystal structure of the complex formed between a group II phospholipase A2 and an indole derivative at 2.2 A resolution
分子名称: INDOLYLPROPIONIC ACID, Phospholipase A2 VRV-PL-VIIIa
著者Kumar, S, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
登録日2007-01-19
公開日2007-02-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of the complex formed between a group II phospholipase A2 and an indole derivative at 2.2 A resolution
To be Published
7A4Q
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BU of 7a4q by Molmil
The Crystal structure of RO4613269 bound to CK2alpha
分子名称: 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2020-08-20
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 2023
2GQX
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BU of 2gqx by Molmil
Crystal structure of cytochrome p450cam mutant (f87w/y96f/l244a/v247l/c334a) with pentachlorobenzene
分子名称: 1,2,3,4,5-PENTACHLOROBENZENE, Cytochrome P450-cam, POTASSIUM ION, ...
著者Rao, Z, Wong, L.L, Xu, F, Bell, S.G.
登録日2006-04-22
公開日2007-04-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-activity correlations in pentachlorobenzene oxidation by engineered cytochrome P450cam
Protein Eng.Des.Sel., 20, 2007
2OLZ
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BU of 2olz by Molmil
Structure of human insulin in presence of thiocyanate at pH 7.0
分子名称: GLYCEROL, Insulin A, Insulin B, ...
著者Norrman, M, Schluckebier, G.
登録日2007-01-20
公開日2007-12-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic characterization of two novel crystal forms of human insulin induced by chaotropic agents and a shift in pH.
Bmc Struct.Biol., 7, 2007
2GWK
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BU of 2gwk by Molmil
SpvB ADP-ribosylated actin: orthorhombic crystal form
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Stebbins, C.E, Margarit, S.M.
登録日2006-05-04
公開日2006-08-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A steric antagonism of actin polymerization by a salmonella virulence protein.
Structure, 14, 2006
2OQU
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BU of 2oqu by Molmil
High Pressure Cryocooling of Capillary Sample Cryoprotection and Diffraction Phasing at Long Wavelengths
分子名称: CALCIUM ION, Elastase-1, SULFATE ION, ...
著者Kim, C.U, Hao, Q, Gruner, S.M.
登録日2007-02-01
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-pressure cryocooling for capillary sample cryoprotection and diffraction phasing at long wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2GZY
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BU of 2gzy by Molmil
solution structures of the reduced form of thioredoxin from Bacillus subtilis
分子名称: Thioredoxin
著者Xu, H, Zhang, X, Chen, J, Jin, C.
登録日2006-05-12
公開日2007-02-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Conformational fluctuations coupled to the thiol-disulfide transfer between thioredoxin and arsenate reductase in Bacillus subtilis.
J.Biol.Chem., 282, 2007
4J53
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BU of 4j53 by Molmil
Crystal structure of PLK1 in complex with TAK-960
分子名称: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
著者Hosfield, D.J, Skene, R.J.
登録日2013-02-07
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
2GV5
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BU of 2gv5 by Molmil
crystal structure of Sfi1p/Cdc31p complex
分子名称: Cell division control protein 31, Sfi1p
著者Li, S, Sandercock, A.M, Conduit, P.T, Robinson, C.V, Williams, R.L, Kilmartin, J.V.
登録日2006-05-02
公開日2006-06-27
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural role of Sfi1p-centrin filaments in budding yeast spindle pole body duplication.
J.Cell Biol., 173, 2006
2GWJ
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BU of 2gwj by Molmil
SpvB ADP-ribosylated actin: hexagonal crystal form
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Stebbins, C.E, Margarit, S.M.
登録日2006-05-04
公開日2006-08-29
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A steric antagonism of actin polymerization by a salmonella virulence protein.
Structure, 14, 2006
2OLP
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BU of 2olp by Molmil
Structure and ligand selection of hemoglobin II from Lucina pectinata
分子名称: Hemoglobin II, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gavira, J.A, Camara-Artigas, A, de Jesus, W, Lopez-Garriga, J, Garcia-Ruiz, J.M.
登録日2007-01-19
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献Structure and Ligand Selection of Hemoglobin II from Lucina pectinata
J.Biol.Chem., 283, 2008
2OM0
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BU of 2om0 by Molmil
Structure of human insulin in presence of urea at pH 6.5
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Norrman, M, Schluckebier, G.
登録日2007-01-20
公開日2007-12-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystallographic characterization of two novel crystal forms of human insulin induced by chaotropic agents and a shift in pH.
Bmc Struct.Biol., 7, 2007
2OMU
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BU of 2omu by Molmil
Crystal structure of InlA G194S+S Y369S/hEC1 complex
分子名称: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4J8M
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BU of 4j8m by Molmil
Aurora A in complex with CD532
分子名称: 1,2-ETHANEDIOL, 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea, Aurora kinase A, ...
著者Meyerowitz, J.G, Gustafson, W.C, Shokat, K.M, Weiss, W.A.
登録日2013-02-14
公開日2014-09-10
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Drugging MYCN through an Allosteric Transition in Aurora Kinase A.
Cancer Cell, 26, 2014
2H6Z
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BU of 2h6z by Molmil
Crystal Structure of Thioredoxin Mutant E44D in Hexagonal (p61) Space Group
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
著者Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2006-06-01
公開日2007-05-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A stability pattern of protein hydrophobic mutations that reflects evolutionary structural optimization.
Biophys.J., 89, 2005

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