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PDB: 52974 件
8PRB
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The structure of v13Bagel6
分子名称: Cell surface protein, ZINC ION
著者Vandebroek, L, Voet, A.R.D, Lee, X.Y.
登録日2023-07-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of v13Bagel6
To Be Published
8PRC
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The structure of v13Bagel8
分子名称: Cell surface protein, ZINC ION
著者Vandebroek, L, Voet, A.R.D, Lee, X.Y.
登録日2023-07-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The structure of v13Bagel8
To Be Published
1JPK
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Gly156Asp mutant of Human UroD, human uroporphyrinogen III decarboxylase
分子名称: UROPORPHYRINOGEN DECARBOXYLASE
著者Phillips, J.D, Parker, T.L, Schubert, H.L, Whitby, F.G, Hill, C.P, Kushner, J.P.
登録日2001-08-02
公開日2001-12-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Functional consequences of naturally occurring mutations in human uroporphyrinogen decarboxylase.
Blood, 98, 2001
6PK8
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Antibody scFv-M204 dimeric state
分子名称: SULFATE ION, scFv-M204 antibody
著者Abskharon, R, Sawaya, M.R, Seidler, P.M, Cascio, D, Eisenberg, D.S.
登録日2019-06-28
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal structure of a conformational antibody that binds tau oligomers and inhibits pathological seeding by extracts from donors with Alzheimer's disease.
J.Biol.Chem., 295, 2020
2VTL
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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, N-phenyl-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 (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
5K51
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Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with a 9-[5-(phosphonoheptyl]hypoxanthine
分子名称: 5-(6-oxidanylidene-3~{H}-purin-9-yl)pentylphosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
著者Teran, D, Guddat, L.
登録日2016-05-22
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.956 Å)
主引用文献Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase.
Sci Rep, 6, 2016
2W1F
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Structure determination of Aurora Kinase in complex with inhibitor
分子名称: N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
5K7O
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MicroED structure of lysozyme at 1.8 A resolution
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T.
登録日2016-05-26
公開日2017-04-05
最終更新日2018-08-22
実験手法ELECTRON CRYSTALLOGRAPHY (1.8 Å)
主引用文献Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
2VTT
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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-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-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 (1.68 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
1K0I
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BU of 1k0i by Molmil
Pseudomonas aeruginosa phbh R220Q in complex with 100mM PHB
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID, ...
著者Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L.
登録日2001-09-19
公開日2002-02-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase.
Proc.Natl.Acad.Sci.USA, 99, 2002
3EJ8
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Structure of double mutant of human iNOS oxygenase domain with bound immidazole
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, HEME C, IMIDAZOLE, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-09-17
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
6VXQ
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Bruton's tyrosine kinase in complex with compound 5
分子名称: DIMETHYL SULFOXIDE, N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide, Tyrosine-protein kinase BTK
著者Metrick, C.M, Marcotte, D.J.
登録日2020-02-23
公開日2020-12-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases.
J.Med.Chem., 63, 2020
1TAQ
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STRUCTURE OF TAQ DNA POLYMERASE
分子名称: 2-O-octyl-beta-D-glucopyranose, TAQ DNA POLYMERASE, ZINC ION
著者Kim, Y, Eom, S.H, Wang, J, Lee, D.-S, Suh, S.W, Steitz, T.A.
登録日1996-06-04
公開日1996-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Thermus aquaticus DNA polymerase.
Nature, 376, 1995
6W00
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Crystal structure of Fab239 in complex with NPNA2 peptide from circumsporozoite protein
分子名称: Fab239 heavy chain, Fab239 light chain, Immunoglobulin G-binding protein G, ...
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2020-02-28
公開日2020-07-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
6W06
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Bruton's tyrosine kinase in complex with compound 6
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide, DIMETHYL SULFOXIDE, ...
著者Metrick, C.M, Marcotte, D.J.
登録日2020-02-29
公開日2020-12-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases.
J.Med.Chem., 63, 2020
1JRZ
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Crystal structure of Arg402Tyr mutant flavocytochrome c3 from Shewanella frigidimarina
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C, FUMARIC ACID, ...
著者Mowat, C.G, Moysey, R, Miles, C.S, Leys, D, Doherty, M.K, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K.
登録日2001-08-15
公開日2001-11-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and crystallographic analysis of the key active site acid/base arginine in a soluble fumarate reductase.
Biochemistry, 40, 2001
1TEX
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BU of 1tex by Molmil
Mycobacterium smegmatis Stf0 Sulfotransferase with Trehalose
分子名称: Stf0 Sulfotransferase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Mougous, J.D, Petzold, C.J, Senaratne, R.H, Lee, D.H, Akey, D.L, Lin, F.L, Munchel, S.E, Pratt, M.R, Riley, L.W, Leary, J.A, Berger, J.M, Bertozzi, C.R.
登録日2004-05-25
公開日2004-07-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification, function and structure of the mycobacterial sulfotransferase that initiates sulfolipid-1 biosynthesis.
Nat.Struct.Mol.Biol., 11, 2004
8PR9
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The structure of v13Bagel2
分子名称: Cell surface protein
著者Vandebroek, L, Voet, A.R.D, Lee, X.Y.
登録日2023-07-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The structure of v13Bagel2
To Be Published
8PRE
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The structure of nvBagel2 in the presence of Zn(II)
分子名称: Cell surface protein, ZINC ION
著者Vandebroek, L, Voet, A.R.D, Lee, X.Y.
登録日2023-07-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structure of v13Bagel2
To Be Published
2W1G
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Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
8PRQ
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The structure of nvBagel2 in the presence of Cu(II)
分子名称: COPPER (II) ION, Cell surface protein
著者Vandebroek, L, Voet, A.R.D, Lee, X.Y.
登録日2023-07-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献The structure of nvBagel2 in the presence of Cu(II)
To Be Published
3ERC
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BU of 3erc by Molmil
Crystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase with three fragments of RNA and 3'-deoxy ATP
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, ...
著者Li, C, Li, H, Zhou, S, Poulos, T.L, Gershon, P.D.
登録日2008-10-01
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Polymerase Translocation with Respect to Single-Stranded Nucleic Acid: Looping or Wrapping of Primer around a Poly(A) Polymerase
Structure, 17, 2009
8PV0
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Crystal structure of tropomyosin (Cdc8) cables, Conformers 2 and 3
分子名称: Tropomyosin
著者Reinke, P.Y.A, Zahn, M, Fedorov, R, Manstein, D.J.
登録日2023-07-17
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Atomic structure of tropomyosin cables
To Be Published
113D
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THE STRUCTURE OF GUANOSINE-THYMIDINE MISMATCHES IN B-DNA AT 2.5 ANGSTROMS RESOLUTION
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*TP*GP*CP*G)-3')
著者Hunter, W.N, Brown, T, Kneale, G, Anand, N.N, Rabinovich, D, Kennard, O.
登録日1993-01-04
公開日1993-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structure of guanosine-thymidine mismatches in B-DNA at 2.5-A resolution.
J.Biol.Chem., 262, 1987
3X1O
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Crystal structure of the ROQ domain of human Roquin
分子名称: IODIDE ION, Roquin-1
著者Ose, T, Verma, A, Cockburn, J.B, Berrow, N.S, Alderton, D, Stuart, D, Owens, R.J, Jones, E.Y.
登録日2014-11-26
公開日2015-03-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Roquin binds microRNA-146a and Argonaute2 to regulate microRNA homeostasis
Nat Commun, 6, 2015

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