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2EE0
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Solution structures of the CA domain of human protocadherin 9
分子名称: Protocadherin-9
著者Sato, M, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-15
公開日2007-08-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structures of the CA domain of human protocadherin 9
To be Published
3W18
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Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XIII
分子名称: 2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide, Aurora kinase A
著者Oliveira, T.M, Kairies, N.A, Engh, R.A.
登録日2012-11-09
公開日2014-02-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Flexibility and multiple conformations of the activation and glycine rich loops of Aurora A accompanying inhibitor binding
To be Published
1Y7D
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BU of 1y7d by Molmil
T-To-T(High) quaternary transitions in human hemoglobin: betaP100G deoxy low-salt (1 test set)
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A.
登録日2004-12-08
公開日2004-12-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
3IW8
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Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea
分子名称: 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2009-09-02
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
2R7B
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Crystal Structure of the Phosphoinositide-dependent Kinase-1 (PDK-1)Catalytic Domain bound to a dibenzonaphthyridine inhibitor
分子名称: 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION
著者Olland, A.M.
登録日2007-09-07
公開日2008-09-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Dibenzo[c,f][2,7]naphthyridines as Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 Inhibitors.
J.Med.Chem., 50, 2007
1YAO
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CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: CALORIMETRIC STUDIES AND X-RAY STRUCTURAL ANALYSIS OF THE FIVE ISOLEUCINE TO VALINE MUTANTS
分子名称: LYSOZYME, SODIUM ION
著者Yamagata, Y, Kaneda, H, Fujii, S, Takano, K, Ogasahara, K, Kanaya, E, Kikuchi, M, Oobatake, M, Yutani, K.
登録日1995-09-29
公開日1996-04-03
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 hydrophobic residues to the stability of human lysozyme: calorimetric studies and X-ray structural analysis of the five isoleucine to valine mutants.
J.Mol.Biol., 254, 1995
1KMA
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BU of 1kma by Molmil
NMR Structure of the Domain-I of the Kazal-type Thrombin Inhibitor Dipetalin
分子名称: DIPETALIN
著者Schlott, B, Wohnert, J, Icke, C, Hartmann, M, Ramachandran, R, Guhrs, K.-H, Glusa, E, Flemming, J, Gorlach, M, Grosse, F, Ohlenschlager, O.
登録日2001-12-14
公開日2002-05-15
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Interaction of Kazal-type inhibitor domains with serine proteinases: biochemical and structural studies.
J.Mol.Biol., 318, 2002
2ED7
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Solution structure of the first fibronectin type III domain of human Netrin receptor DCC
分子名称: Netrin receptor DCC
著者Tochio, N, Koshiba, S, Tomizawa, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-14
公開日2008-02-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the first fibronectin type III domain of human Netrin receptor DCC
To be Published
1KMG
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The Solution Structure Of Monomeric Copper-free Superoxide Dismutase
分子名称: Superoxide Dismutase, ZINC ION
著者Banci, L, Bertini, I, Cantini, F, D'Onofrio, M, Viezzoli, M.S.
登録日2001-12-15
公開日2002-10-02
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献Structure and dynamics of copper-free SOD: The protein before binding copper.
Protein Sci., 11, 2002
1Y31
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T-To-T(High) quaternary transitions in human hemoglobin: betaY35A deoxy low-salt (1 test set)
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A.
登録日2004-11-23
公開日2004-12-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
2W06
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BU of 2w06 by Molmil
Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5c
分子名称: 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
著者Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Byth, K.F, Culshaw, J.D, Finlay, M.R.V, Fisher, E, Mcmiken, H.H.J, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M.
登録日2008-08-08
公開日2008-09-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
1Y3U
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TRYPSIN INHIBITOR COMPLEX
分子名称: (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE, CALCIUM ION, Trypsin, ...
著者Fokkens, J, Obst, U, Heine, A, Diederich, F, Klebe, G.
登録日2004-11-26
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Thermodynamic Characterisation of Protein-Inhibitor-Complexes of Thrombin and Trypsin Inhibitors
To be Published
1KQU
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Human phospholipase A2 complexed with a substrate anologue
分子名称: 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-HEXANOIC ACID, CALCIUM ION, Phospholipase A2, ...
著者Tyndall, J.D, Martin, J.L.
登録日2002-01-07
公開日2003-11-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献D-Tyrosine as a chiral precusor to potent inhibitors of human nonpancreatic secretory phospholipase A2 (IIa) with antiinflammatory activity.
Chembiochem, 4, 2003
2VTN
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
1KT5
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Crystal structure of bovine holo-RBP at pH 4.0
分子名称: Plasma retinol-binding protein, RETINOL
著者Calderone, V, Berni, R, Zanotti, G.
登録日2002-01-15
公開日2003-06-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献High-resolution Structures of Retinol-binding Protein in Complex with Retinol: pH-induced Protein Structural Changes in the Crystal State
J.Mol.Biol., 329, 2003
1KTH
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BU of 1kth by Molmil
The Anisotropic Refinement Of Kunitz Type Domain C5 at 0.95 Angstrom
分子名称: Collagen alpha 3(VI) chain, PHOSPHATE ION
著者Arnoux, B, Ducruix, A, Prange, T.
登録日2002-01-16
公開日2002-02-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Anisotropic behaviour of the C-terminal Kunitz-type domain of the alpha3 chain of human type VI collagen at atomic resolution (0.9 A).
Acta Crystallogr.,Sect.D, 58, 2002
1Y4G
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T-To-T(High) quaternary transitions in human hemoglobin: betaW37G deoxy low-salt (10 test sets)
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A.
登録日2004-11-30
公開日2004-12-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1YAI
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X-RAY STRUCTURE OF A BACTERIAL COPPER,ZINC SUPEROXIDE DISMUTASE
分子名称: COPPER (II) ION, COPPER, ZINC SUPEROXIDE DISMUTASE, ...
著者Bourne, Y, Redford, S.M, Lo, T.P, Tainer, J.A, Getzoff, E.D.
登録日1996-02-03
公開日1997-08-20
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel dimeric interface and electrostatic recognition in bacterial Cu,Zn superoxide dismutase.
Proc.Natl.Acad.Sci.USA, 93, 1996
1KRW
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SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN
分子名称: NITROGEN REGULATION PROTEIN NR(I)
著者Hastings, C.A, Lee, S.-Y, Cho, H.S, Yan, D, Kustu, S, Wemmer, D.E.
登録日2002-01-10
公開日2003-08-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High-Resolution Solution Structure of the Beryllofluoride-Activated NtrC Receiver Domain
Biochemistry, 42, 2003
2W17
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CDK2 in complex with the imidazole pyrimidine amide, compound (S)-8b
分子名称: ACETATE ION, CELL DIVISION PROTEIN KINASE 2, N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine
著者Jones, C.D, Andrews, D.M, Barker, A.J, Blades, K, Daunt, P, East, S, Geh, C, Graham, M.A, Johnson, K.M, Loddick, S.A, McFarland, H.M, McGregor, A, Moss, L, Rudge, D.A, Simpson, P.B, Swain, M.L, Tam, K.Y, Tucker, J.A, Walker, M, Brassington, C, Haye, H, McCall, E.
登録日2008-10-15
公開日2008-11-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Discovery of Azd5597, a Potent Imidazole Pyrimidine Amide Cdk Inhibitor Suitable for Intravenous Dosing.
Bioorg.Med.Chem.Lett., 18, 2008
2VTQ
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
1Y6P
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Crystal structure of disulfide engineered porcine pancratic phospholipase a2 to group-x isozyme
分子名称: CALCIUM ION, CHLORIDE ION, Phospholipase A2, ...
著者Yu, B.Z, Pan, Y.H, Jassen, M.J.W, Bahnson, B.J, Jain, M.K.
登録日2004-12-06
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Kinetic and structural properties of disulfide engineered phospholipase a(2): insight into the role of disulfide bonding patterns.
Biochemistry, 44, 2005
1YEV
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T-To-T(High) quaternary transitions in human hemoglobin: betaW37E OXY (10 test sets)
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ...
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A.
登録日2004-12-28
公開日2005-01-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
3AQV
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Human AMP-activated protein kinase alpha 2 subunit kinase domain (T172D) complexed with compound C
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-2, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
著者Handa, N, Takagi, T, Saijo, S, Kishishita, S, Toyama, M, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-11-19
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural basis for compound C inhibition of the human AMP-activated protein kinase alpha 2 subunit kinase domain
Acta Crystallogr.,Sect.D, 67, 2011
2EIZ
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Crystal structure of humanized HYHEL-10 fv mutant(HW47Y)-hen lysozyme complex
分子名称: ANTI-LYSOZYME ANTIBODY FV REGION, Lysozyme C
著者Nakanishi, T, Tsumoto, K, Yokota, A, Kondo, H, Kumagai, I.
登録日2007-03-14
公開日2008-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Critical contribution of VH-VL interaction to reshaping of an antibody: the case of humanization of anti-lysozyme antibody, HyHEL-10
Protein Sci., 17, 2008

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