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6CJ1
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BU of 6cj1 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG071
分子名称: 1,2-ETHANEDIOL, 11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, ...
著者Xu, X, Blacklow, S.C.
登録日2018-02-25
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
5N0Y
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BU of 5n0y by Molmil
hPAD4 crystal complex with AFM-30a
分子名称: CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ...
著者Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S.
登録日2017-02-03
公開日2017-05-24
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
1NRX
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BU of 1nrx by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and NAD
分子名称: 3-dehydroquinate synthase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
登録日2003-01-26
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
2AK3
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BU of 2ak3 by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN MITOCHONDRIAL MATRIX ADENYLATE KINASE AND ITS SUBSTRATE AMP AT 1.85 ANGSTROMS RESOLUTION
分子名称: ADENOSINE MONOPHOSPHATE, ADENYLATE KINASE ISOENZYME-3, SULFATE ION
著者Diederichs, K, Schulz, G.E.
登録日1995-03-07
公開日1995-05-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The refined structure of the complex between adenylate kinase from beef heart mitochondrial matrix and its substrate AMP at 1.85 A resolution.
J.Mol.Biol., 217, 1991
4TNN
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BU of 4tnn by Molmil
Crystal structure of Escherichia coli protein YodA in complex with Ni - artifact of purification.
分子名称: Metal-binding lipocalin, NICKEL (II) ION, SULFATE ION
著者Gasiorowska, O.A, Cymborowski, M.T, Handing, K.B, Shabalin, I.G, Zasadzinska, E, Niedzialkowska, E, Porebski, P.J, Minor, W.
登録日2014-06-04
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Protein purification and crystallization artifacts: The tale usually not told.
Protein Sci., 25, 2016
2AGG
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BU of 2agg by Molmil
succinyl-AAPK-trypsin acyl-enzyme at 1.28 A resolution
分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION, ...
著者Radisky, E.S, Lee, J.M, Lu, C.J, Koshland Jr, D.E.
登録日2005-07-26
公開日2006-05-16
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Insights into the serine protease mechanism from atomic resolution structures of trypsin reaction intermediates
Proc.Natl.Acad.Sci.USA, 103, 2006
5OFW
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BU of 5ofw by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-Chloro-4-fluorobenzamide
分子名称: 3-chloranyl-4-fluoranyl-benzamide, D-3-phosphoglycerate dehydrogenase
著者Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
登録日2017-07-11
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
1NUA
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BU of 1nua by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+
分子名称: 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, ZINC ION
著者Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
登録日2003-01-31
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
1UVK
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BU of 1uvk by Molmil
The structural basis for RNA specificity and Ca2 inhibition of an RNA-dependent RNA polymerase phi6p2 dead-end complex
分子名称: GUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Salgado, P.S, Makeyev, E.V, Butcher, S, Bamford, D, Stuart, D.I, Grimes, J.M.
登録日2004-01-21
公開日2004-02-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The structural basis for RNA specificity and Ca2+ inhibition of an RNA-dependent RNA polymerase.
Structure, 12, 2004
8KHO
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BU of 8kho by Molmil
Crystal structure of human methionine aminopeptidase 12 (MAP12) in complex with two Cobalt ions and Methionine
分子名称: COBALT (II) ION, METHIONINE, Methionine aminopeptidase 1D, ...
著者Lee, Y, Lee, E, Hahn, H, Kim, H, Heo, Y, Jang, D.M, Kim, H.J, Kim, H.S.
登録日2023-08-22
公開日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural insights into N-terminal methionine cleavage by the human mitochondrial methionine aminopeptidase, MetAP1D.
Sci Rep, 13, 2023
1NVA
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BU of 1nva by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and ADP
分子名称: 3-DEHYDROQUINATE SYNTHASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
登録日2003-02-03
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
2AQT
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BU of 2aqt by Molmil
CU/ZN superoxide dismutase from neisseria meningitidis K91Q, K94Q double mutant
分子名称: COPPER (I) ION, COPPER (II) ION, SULFATE ION, ...
著者DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D.
登録日2005-08-18
公開日2006-10-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献CU/ZN superoxide dismutase from neisseria meningitidis K91Q, K94Q double mutant
To be Published
2WS6
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BU of 2ws6 by Molmil
Semi-synthetic analogue of human insulin NMeTyrB26-insulin in hexamer form
分子名称: CHLORIDE ION, GLYCEROL, INSULIN A CHAIN, ...
著者Brzozowski, A.M, Jiracek, J, Zakova, L, Antolikova, E, Watson, C.J, Turkenburg, J.P, Dodson, G.G.
登録日2009-09-03
公開日2010-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Implications for the Active Form of Human Insulin Based on the Structural Convergence of Highly Active Hormone Analogues.
Proc.Natl.Acad.Sci.USA, 107, 2010
2WSR
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BU of 2wsr by Molmil
MONOTIM MUTANT RMM0-1, MONOMERIC FORM.
分子名称: AZIDE ION, SULFATE ION, TRIOSE PHOSPHATE ISOMERASE, ...
著者Rudino-Pinera, E, Rojas-Trejo, S.P, Arreola, R, Saab-Rincon, G, Soberon, X, Horjales, E.
登録日2009-09-08
公開日2009-09-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Space Group Transition Driven by Temperature and Related to Monomer-Dimer Transition in Solution: The Case of Monomeric Tim of Trypanosoma Brucei Brucei
To be Published
8KHN
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BU of 8khn by Molmil
Crystal structure of human methionine aminopeptidase 12 (MAP12) in complex with two cobalt ions
分子名称: COBALT (II) ION, Methionine aminopeptidase 1D, mitochondrial, ...
著者Lee, Y, Lee, E, Hahn, H, Kim, H, Heo, Y, Jang, D.M, Kim, H.J, Kim, H.S.
登録日2023-08-22
公開日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural insights into N-terminal methionine cleavage by the human mitochondrial methionine aminopeptidase, MetAP1D.
Sci Rep, 13, 2023
2O7F
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BU of 2o7f by Molmil
Tyrosine ammonia-lyase from Rhodobacter sphaeroides (His89Phe variant), complexed with coumaric acid
分子名称: 4'-HYDROXYCINNAMIC ACID, Putative histidine ammonia-lyase
著者Louie, G.V, Bowman, M.E, Moffitt, M.C, Baiga, T.J, Moore, B.S, Noel, J.P.
登録日2006-12-11
公開日2007-01-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases.
Chem.Biol., 13, 2006
8KHM
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BU of 8khm by Molmil
Crystal structure of human methionine aminopeptidase 12 (MAP12) in the unbound form
分子名称: GLYCEROL, Methionine aminopeptidase 1D, mitochondrial, ...
著者Lee, Y, Lee, E, Hahn, H, Kim, H, Heo, Y, Jang, D.M, Kim, H.J, Kim, H.S.
登録日2023-08-22
公開日2024-01-24
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural insights into N-terminal methionine cleavage by the human mitochondrial methionine aminopeptidase, MetAP1D.
Sci Rep, 13, 2023
2WP8
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BU of 2wp8 by Molmil
yeast rrp44 nuclease
分子名称: CHLORIDE ION, EXOSOME COMPLEX COMPONENT RRP45, EXOSOME COMPLEX COMPONENT SKI6, ...
著者Basquin, J, Bonneau, F, Ebert, J, Lorentzen, E, Conti, E.
登録日2009-08-03
公開日2009-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Yeast Exosome Functions as a Macromolecular Cage to Channel RNA Substrates for Degradation.
Cell(Cambridge,Mass.), 139, 2009
4NPK
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BU of 4npk by Molmil
Extended-Synaptotagmin 2, C2A- and C2B-domains, calcium bound
分子名称: CALCIUM ION, Extended synaptotagmin-2
著者Tomchick, D.R, Rizo, J, Xu, J.
登録日2013-11-21
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.552 Å)
主引用文献Structure and ca(2+)-binding properties of the tandem c2 domains of e-syt2.
Structure, 22, 2014
5YU6
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BU of 5yu6 by Molmil
CRYSTAL STRUCTURE OF EXPORTIN-5:RANGTP COMPLEX
分子名称: 13-mer peptide, Exportin-5, GTP-binding nuclear protein Ran, ...
著者Yamazawa, R, Jiko, C, Lee, S.J, Yamashita, E.
登録日2017-11-20
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.997 Å)
主引用文献Structural Basis for Selective Binding of Export Cargoes by Exportin-5
Structure, 26, 2018
1GID
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BU of 1gid by Molmil
CRYSTAL STRUCTURE OF A GROUP I RIBOZYME DOMAIN: PRINCIPLES OF RNA PACKING
分子名称: COBALT HEXAMMINE(III), MAGNESIUM ION, P4-P6 RNA RIBOZYME DOMAIN
著者Cate, J.H, Gooding, A.R, Podell, E, Zhou, K, Golden, B.L, Kundrot, C.E, Cech, T.R, Doudna, J.A.
登録日1996-08-22
公開日1996-12-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a group I ribozyme domain: principles of RNA packing.
Science, 273, 1996
4NKW
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BU of 4nkw by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate pregnenolone
分子名称: (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.P.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
1GLM
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BU of 1glm by Molmil
REFINED CRYSTAL STRUCTURES OF GLUCOAMYLASE FROM ASPERGILLUS AWAMORI VAR. X100
分子名称: GLUCOAMYLASE-471, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Aleshin, A.E, Hoffman, C, Firsov, L.M, Honzatko, R.B.
登録日1994-04-25
公開日1994-06-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Refined crystal structures of glucoamylase from Aspergillus awamori var. X100.
J.Mol.Biol., 238, 1994
1GM7
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BU of 1gm7 by Molmil
Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G, ...
著者McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A.
登録日2001-09-11
公開日2001-11-28
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism
J.Mol.Biol., 313, 2001
2X89
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BU of 2x89 by Molmil
Structure of the Beta2_microglobulin involved in amyloidogenesis
分子名称: ANTIBODY, BETA-2-MICROGLOBULIN
著者Domanska, K, Srinivasan, V, Vanderhaegen, S, Pardon, E, Marquez, J.A, Bellotti, V, Wyns, L, Steyaert, J.
登録日2010-03-07
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Atomic Structure of a Nanobody-Trapped Domain-Swapped Dimer of an Amyloidogenic {Beta}2-Microglobulin Variant.
Proc.Natl.Acad.Sci.USA, 108, 2011

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