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3FI2
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Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451
分子名称: 1,2-ETHANEDIOL, 3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10
著者Habel, J.E.
登録日2008-12-10
公開日2009-03-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38.
J.Biol.Chem., 284, 2009
2A5X
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Crystal Structure of a Cross-linked Actin Dimer
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Actin, alpha skeletal muscle, ...
著者Kudryashov, D.S, Sawaya, M.R, Adisetiyo, H, Norcross, T, Hegyi, G, Reisler, E, Yeates, T.O.
登録日2005-07-01
公開日2005-08-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献The crystal structure of a cross-linked actin dimer suggests a detailed molecular interface in F-actin
Proc.Natl.Acad.Sci.Usa, 102, 2005
2A9O
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Crystal structures of an activated YycF homologue, the essential response regulator from S.pneumoniae in complex with BeF3 and the effect of pH on BeF3 binding, possible phosphate in the active site
分子名称: BERYLLIUM TRIFLUORIDE ION, MANGANESE (II) ION, Response regulator
著者Riboldi-Tunnicliffe, A, Isaacs, N.W, Mitchell, T.J.
登録日2005-07-12
公開日2006-09-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of an activated YycF homologue, the essential response regulator from S.pneumoniae in complex with BeF3 and the effect of pH on BeF3 binding, possible phosphate in the active site.
TO BE PUBLISHED
1TIO
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BU of 1tio by Molmil
HIGH PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE
分子名称: BENZAMIDINE, CALCIUM ION, CYCLOHEXANE, ...
著者Huang, Q, Zhu, G, Wang, Z, Tang, Q.
登録日1998-09-17
公開日1998-09-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献X-ray studies on two forms of bovine beta-trypsin crystals in neat cyclohexane.
Biochim.Biophys.Acta, 1429, 1998
2AAS
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HIGH-RESOLUTION THREE-DIMENSIONAL STRUCTURE OF RIBONUCLEASE A IN SOLUTION BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
分子名称: RIBONUCLEASE A
著者Santoro, J, Gonzalez, C, Bruix, M, Neira, J.L, Nieto, J.L, Herranz, J, Rico, M.
登録日1992-11-20
公開日1994-01-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献High-resolution three-dimensional structure of ribonuclease A in solution by nuclear magnetic resonance spectroscopy.
J.Mol.Biol., 229, 1993
1HVJ
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INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
分子名称: HIV-1 PROTEASE, N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
著者Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W.
登録日1994-01-26
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
3EZV
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CDK-2 with indazole inhibitor 9 bound at its active site
分子名称: 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2
著者Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
登録日2008-10-23
公開日2009-02-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
1HVI
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INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
分子名称: HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
著者Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W.
登録日1994-01-26
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
2AC5
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Structure of human Mnk2 Kinase Domain mutant D228G
分子名称: MAP kinase-interacting serine/threonine kinase 2, ZINC ION
著者Jauch, R, Wahl, M.C, Jakel, S, Schreiter, K, Aicher, B, Jackle, H.
登録日2005-07-18
公開日2005-10-04
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structures of the Mnk2 kinase domain reveal an inhibitory conformation and a zinc binding site.
Structure, 13, 2005
1HSH
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CRYSTAL STRUCTURE AT 1.9 ANGSTROMS RESOLUTION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) II PROTEASE COMPLEXED WITH L-735,524, AN ORALLY BIOAVAILABLE INHIBITOR OF THE HIV PROTEASES
分子名称: HIV-II PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
著者Chen, Z.
登録日1995-03-31
公開日1996-04-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure at 1.9-A resolution of human immunodeficiency virus (HIV) II protease complexed with L-735,524, an orally bioavailable inhibitor of the HIV proteases.
J.Biol.Chem., 269, 1994
1HUR
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HUMAN ADP-RIBOSYLATION FACTOR 1 COMPLEXED WITH GDP, FULL LENGTH NON-MYRISTOYLATED
分子名称: GUANOSINE-5'-DIPHOSPHATE, HUMAN ADP-RIBOSYLATION FACTOR 1, MAGNESIUM ION
著者Amor, J.C, Harrison, D.H, Kahn, R.A, Ringe, D.
登録日1995-04-19
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the human ADP-ribosylation factor 1 complexed with GDP.
Nature, 372, 1994
1HVK
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INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
分子名称: HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
著者Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W.
登録日1994-01-26
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
1HPX
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HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272
分子名称: (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, HIV-1 PROTEASE
著者Bhat, T.N, Erickson, J.W.
登録日1995-05-18
公開日1996-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine.
Structure, 3, 1995
1HSY
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ORIGIN OF THE PH-DEPENDENT SPECTROSCOPIC PROPERTIES OF PENTACOORDINATE METMYOGLOBIN VARIANTS
分子名称: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Maurus, R, Brayer, G.D.
登録日1994-12-12
公開日1995-02-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Origin of the pH-dependent spectroscopic properties of pentacoordinate metmyoglobin variants.
Biochemistry, 34, 1995
1HVS
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BU of 1hvs by Molmil
STRUCTURAL BASIS OF DRUG RESISTANCE FOR THE V82A MUTANT OF HIV-1 PROTEASE: BACKBONE FLEXIBILITY AND SUBSITE REPACKING
分子名称: HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
著者Baldwin, E.T, Bhat, T.N, Liu, B, Pattabiraman, N, Erickson, J.W.
登録日1994-11-17
公開日1995-02-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of drug resistance for the V82A mutant of HIV-1 proteinase.
Nat.Struct.Biol., 2, 1995
1HVL
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INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE
分子名称: HIV-1 PROTEASE, N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
著者Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W.
登録日1994-01-26
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
1XCH
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MYOGLOBIN (HORSE HEART) MUTANT WITH LEU 104 REPLACED BY ASN (L104N)
分子名称: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Maurus, R, Brayer, G.D.
登録日1997-06-06
公開日1997-09-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A myoglobin variant with a polar substitution in a conserved hydrophobic cluster in the heme binding pocket.
Biochim.Biophys.Acta, 1341, 1997
2AC3
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Structure of human Mnk2 Kinase Domain
分子名称: MAP kinase-interacting serine/threonine kinase 2, ZINC ION
著者Jauch, R, Wahl, M.C, Netter, C, Jakel, S, Schreiter, K, Aicher, B, Jackle, H.
登録日2005-07-18
公開日2005-10-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the Mnk2 kinase domain reveal an inhibitory conformation and a zinc binding site.
Structure, 13, 2005
1XGL
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HUMAN INSULIN DISULFIDE ISOMER, NMR, 10 STRUCTURES
分子名称: INSULIN
著者Hua, Q.X, Gozani, S.N, Chance, R.E, Hoffmann, J.A, Frank, B.H, Weiss, M.A.
登録日1996-10-10
公開日1997-04-01
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structure of a protein in a kinetic trap.
Nat.Struct.Biol., 2, 1995
1HYL
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THE 1.8 A STRUCTURE OF COLLAGENASE FROM HYPODERMA LINEATUM
分子名称: HYPODERMA LINEATUM COLLAGENASE
著者Broutin, I, Arnoux, B, Riche, C, Lecroisey, A, Keil, B, Pascard, C, Ducruix, A.
登録日1995-05-02
公開日1995-07-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.8 A structure of Hypoderma lineatum collagenase: a member of the serine proteinase family.
Acta Crystallogr.,Sect.D, 52, 1996
1HUP
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HUMAN MANNOSE BINDING PROTEIN CARBOHYDRATE RECOGNITION DOMAIN TRIMERIZES THROUGH A TRIPLE ALPHA-HELICAL COILED-COIL
分子名称: CALCIUM ION, MANNOSE-BINDING PROTEIN, SULFATE ION
著者Sheriff, S.
登録日1994-09-21
公開日1995-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human mannose-binding protein carbohydrate recognition domain trimerizes through a triple alpha-helical coiled-coil.
Nat.Struct.Biol., 1, 1994
1XEK
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THE CRYSTAL STRUCTURES OF LYSOZYME AT VERY LOW LEVELS OF HYDRATION
分子名称: LYSOZYME
著者Nagendra, H.G, Sukumar, N, Vijayan, M.
登録日1998-01-16
公開日1998-04-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Role of water in plasticity, stability, and action of proteins: the crystal structures of lysozyme at very low levels of hydration.
Proteins, 32, 1998
1HNE
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Structure of human neutrophil elastase in complex with a peptide chloromethyl ketone inhibitor at 1.84-angstroms resolution
分子名称: HUMAN LEUCOCYTE ELASTASE, METHOXYSUCCINYL-ALA-ALA-PRO-ALA CHLOROMETHYL KETONE INHIBITOR
著者Navia, M.A, Mckeever, B.M, Springer, J.P, Lin, T.-Y, Williams, H.R, Fluder, E.M, Dorn, C.P, Hoogsteen, K.
登録日1989-04-10
公開日1989-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure of human neutrophil elastase in complex with a peptide chloromethyl ketone inhibitor at 1.84-A resolution.
Proc.Natl.Acad.Sci.USA, 86, 1989
1HNL
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CRYSTAL STRUCTURE OF A GLUTATHIONYLATED HUMAN LYSOZYME: A FOLDING INTERMEDIATE MIMIC IN THE FORMATION OF A DISULFIDE BOND
分子名称: GLUTATHIONE, HUMAN LYSOZYME
著者Inaka, K, Matsushima, M, Miki, K.
登録日1994-12-22
公開日1995-02-14
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a glutathionylated human lysozyme: a folding intermediate mimic in the formation of a disulfide bond.
Acta Crystallogr.,Sect.D, 51, 1995
1XEI
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THE CRYSTAL STRUCTURES OF LYSOZYME AT VERY LOW LEVELS OF HYDRATION
分子名称: LYSOZYME
著者Nagendra, H.G, Sukumar, N, Vijayan, M.
登録日1998-01-16
公開日1998-04-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Role of water in plasticity, stability, and action of proteins: the crystal structures of lysozyme at very low levels of hydration.
Proteins, 32, 1998

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