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4O7J
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Crystal structure of CarG
分子名称: CarG, SODIUM ION
著者Tichy, E.M, Luisi, B.F, Salmond, G.P.C.
登録日2013-12-24
公開日2014-03-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the carbapenem intrinsic resistance protein CarG
J.Mol.Biol., 426, 2014
4OL0
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Crystal structure of transportin-SR2, a karyopherin involved in human disease, in complex with Ran
分子名称: GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Tsirkone, V.G, Strelkov, S.V.
登録日2014-01-23
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of transportin SR2, a karyopherin involved in human disease, in complex with Ran.
Acta Crystallogr.,Sect.F, 70, 2014
3ZLI
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BU of 3zli by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ...
著者Vollmar, M, Gileadi, C, Shrestha, L, Goubin, S, Johansson, C, Krojer, T, Raynor, J.W, Bradley, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2013-01-31
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Uty(Kdm6C) is a Male-Specific Nepsilon-Methyl Lysyl Demethylase.
J.Biol.Chem., 289, 2014
5TCC
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Complement Factor D inhibited with JH4
分子名称: (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide, Complement factor D
著者Stuckey, J.A.
登録日2016-09-14
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors.
ACS Med Chem Lett, 7, 2016
5TJX
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Structure of human plasma kallikrein
分子名称: (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one, PHOSPHATE ION, Plasma kallikrein
著者Partridge, J.R, Choy, R.M, Li, Z.
登録日2016-10-05
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.408 Å)
主引用文献Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors.
ACS Med Chem Lett, 8, 2017
3ZOS
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BU of 3zos by Molmil
Structure of the DDR1 kinase domain in complex with ponatinib
分子名称: 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1
著者Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Bradley, A, Coutandin, D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2013-02-22
公開日2013-05-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
5TEG
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BU of 5teg by Molmil
Crystal structure of hSETD8 in complex with histone H4K20 norleucine mutant peptide and S-Adenosylmethionine
分子名称: Histone H4 mutant peptide with H4K20norleucine, N-lysine methyltransferase KMT5A, S-ADENOSYLMETHIONINE
著者Judge, R.A, Petros, A.M.
登録日2016-09-21
公開日2016-12-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.
ACS Med Chem Lett, 7, 2016
4BLB
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Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex
分子名称: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, ZINC FINGER PROTEIN GLI1, ...
著者Cherry, A.L, Finta, C, Karlstrom, M, De Sanctis, D, Toftgard, R, Jovine, L.
登録日2013-05-02
公開日2013-11-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4BHX
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BU of 4bhx by Molmil
Crystal structure of the SCAN domain from human paternally expressed gene 3 protein
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PATERNALLY-EXPRESSED GENE 3 PROTEIN, ...
著者Rimsa, V, Eadsforth, T.C, Hunter, W.N.
登録日2013-04-09
公開日2013-04-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of the Scan Domain of Human Paternally Expressed Gene 3 Protein.
Plos One, 8, 2013
4BC4
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Crystal structure of human D-xylulokinase in complex with D-xylulose
分子名称: 1,2-ETHANEDIOL, D-XYLULOSE, XYLULOSE KINASE
著者Bunker, R.D, Loomes, K.M, Baker, E.N.
登録日2012-10-01
公開日2012-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure and Function of Human Xylulokinase, an Enzyme with Important Roles in Carbohydrate Metabolism
J.Biol.Chem., 288, 2013
4BGG
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Crystal structure of the ACVR1 kinase in complex with LDN-213844
分子名称: 1,2-ETHANEDIOL, 1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine, ACTIVIN RECEPTOR TYPE-1, ...
著者Sanvitale, C, Canning, P, Cooper, C, Wang, Y, Mohedas, A.H, Choi, S, Yu, P.B, Cuny, G.D, Nowak, R, Coutandin, D, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2013-03-26
公開日2013-04-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structure-Activity Relationship of 3,5-Diaryl-2-Aminopyridine Alk2 Inhibitors Reveals Unaltered Binding Affinity for Fibrodysplasia Ossificans Progressiva Causing Mutants.
J.Med.Chem., 57, 2014
4BJZ
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BU of 4bjz by Molmil
Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Native data
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL, ...
著者Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H.
登録日2013-04-21
公開日2013-07-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation
J.Biol.Chem., 288, 2013
4BIX
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BU of 4bix by Molmil
Crystal structure of CpxAHDC (monoclinic form 1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SENSOR PROTEIN CPXA, ...
著者Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M.
登録日2013-04-13
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation.
Plos Biol., 12, 2014
4B93
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Complex of Vamp7 cytoplasmic domain with 2nd ankyrin repeat domain of Varp
分子名称: ANKYRIN REPEAT DOMAIN-CONTAINING PROTEIN 27, VESICLE-ASSOCIATED MEMBRANE PROTEIN 7
著者Schaefer, I.B, Owen, D.J, Luzio, J.P, Evans, P.R.
登録日2012-08-31
公開日2012-10-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Binding of Varp to Vamp7 Traps Vamp7 in a Closed, Fusogenically Inactive Conformation.
Nat.Struct.Mol.Biol., 19, 2012
4BIZ
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BU of 4biz by Molmil
Crystal structure of CpxAHDC (orthorhombic form 2)
分子名称: ADENOSINE-5'-DIPHOSPHATE, SENSOR PROTEIN CPXA, SULFATE ION
著者Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M.
登録日2013-04-13
公開日2014-04-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal Structures of Cpxahdc
To be Published
4BJY
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BU of 4bjy by Molmil
Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Platinum derivative
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL, ...
著者Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H.
登録日2013-04-21
公開日2013-07-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation
J.Biol.Chem., 288, 2013
4BL5
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BU of 4bl5 by Molmil
Crystal structure of human GDP-L-fucose synthase with bound NADP and product GDP-L-fucose
分子名称: 1,2-ETHANEDIOL, GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, ...
著者Vollmar, M, Shafqat, N, Rojkova, A, Krojer, T, Bradley, A, Raynor, J.W, Kavanagh, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U, Yue, W.W.
登録日2013-05-01
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Product Gdp-L-Fucose
To be Published
4APC
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BU of 4apc by Molmil
Crystal Structure of Human NIMA-related Kinase 1 (NEK1)
分子名称: CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1
著者Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S.
登録日2012-04-02
公開日2012-04-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Sci Rep, 7, 2017
5U3I
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BU of 5u3i by Molmil
CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31
分子名称: 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B.
登録日2016-12-02
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
4MDZ
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Crystal structure of a HD-GYP domain (a cyclic-di-GMP phosphodiesterase) containing a tri-nuclear metal centre
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), FE (III) ION, Metal dependent phosphohydrolase, ...
著者Bellini, D, Walsh, M.A, Oxford Protein Production Facility (OPPF)
登録日2013-08-23
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal structure of an HD-GYP domain cyclic-di-GMP phosphodiesterase reveals an enzyme with a novel trinuclear catalytic iron centre.
Mol.Microbiol., 91, 2014
4BDX
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The structure of the FnI-EGF tandem domain of coagulation factor XII
分子名称: ACETATE ION, COAGULATION FACTOR XIIA HEAVY CHAIN
著者Beringer, D.X, Kroon-Batenburg, L.M.J.
登録日2012-10-08
公開日2013-02-13
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献The Structure of the Fni-Egf-Like Tandem Domain of Coagulation Factor Xii Solved Using Siras.
Acta Crystallogr.,Sect.F, 69, 2013
4BC5
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Crystal structure of human D-xylulokinase in complex with inhibitor 5- deoxy-5-fluoro-D-xylulose
分子名称: 1,2-ETHANEDIOL, 5-deoxy-5-fluoro-D-xylulose, XYLULOSE KINASE
著者Bunker, R.D, Loomes, K.M, Baker, E.N.
登録日2012-10-01
公開日2012-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure and Function of Human Xylulokinase, an Enzyme with Important Roles in Carbohydrate Metabolism
J.Biol.Chem., 288, 2013
5VGI
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BU of 5vgi by Molmil
Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352
分子名称: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Hosfield, D.J.
登録日2017-04-11
公開日2017-09-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
4AKH
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BU of 4akh by Molmil
Dynein Motor Domain - AMPPNP complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE S-TRANSFERASE CLASS-MU 26 KDA ISOZYME, DYNEIN HEAVY CHAIN CYTOPLASMIC, ...
著者Schmidt, H, Gleave, E.S, Carter, A.P.
登録日2012-02-22
公開日2012-03-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Insights Into Dynein Motor Domain Function from a 3.3 Angstrom Crystal Structure
Nat.Struct.Mol.Biol., 19, 2012
4OQZ
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Streptomyces aurantiacus imine reductase
分子名称: Putative oxidoreductase YfjR
著者Schneider, L.K, Huber, T, Gerhardt, S, Muller, M, Einsle, O.
登録日2014-02-10
公開日2014-10-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Direct Reductive Amination of Ketones: Structure and Activity of S-Selective Imine Reductases from Streptomyces.
CHEMCATCHEM, 2014

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