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4WZA
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Asymmetric Nucleotide Binding in the Nitrogenase Complex
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, ...
著者Tezcan, F.A, Kaiser, J.T, Howard, J.B, Rees, D.C.
登録日2014-11-19
公開日2014-12-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8995 Å)
主引用文献Structural evidence for asymmetrical nucleotide interactions in nitrogenase.
J.Am.Chem.Soc., 137, 2015
5UZB
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BU of 5uzb by Molmil
Cryo-EM structure of the MAL TIR domain filament
分子名称: Toll/interleukin-1 receptor domain-containing adapter protein
著者Ve, T, Vajjhala, P.R, Hedger, A, Croll, T, DiMaio, F, Horsefield, S, Yu, X, Lavrencic, P, Hassan, Z, Morgan, G.P, Mansell, A, Mobli, M, O'Carrol, A, Chauvin, B, Gambin, Y, Sierecki, E, Landsberg, M.J, Stacey, K.J, Egelman, E.H, Kobe, B.
登録日2017-02-25
公開日2017-07-26
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Structural basis of TIR-domain-assembly formation in MAL- and MyD88-dependent TLR4 signaling.
Nat. Struct. Mol. Biol., 24, 2017
4WST
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The crystal structure of hemagglutinin from A/Taiwan/1/2013 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
著者Yang, H, Carney, P.J, Chang, J, Villanueva, J.M, Stevens, J.
登録日2014-10-28
公開日2015-02-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and receptor binding preferences of recombinant hemagglutinins from avian and human h6 and h10 influenza a virus subtypes.
J.Virol., 89, 2015
5UO2
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Structure of human neuronal nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
4WSW
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BU of 4wsw by Molmil
The crystal structure of hemagglutinin from A/green-winged teal/Texas/Y171/2006 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
著者Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J.
登録日2014-10-28
公開日2015-02-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and receptor binding preferences of recombinant hemagglutinins from avian and human h6 and h10 influenza a virus subtypes.
J.Virol., 89, 2015
5UOG
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BU of 5uog by Molmil
Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in apo form
分子名称: NADPH-dependent glyoxylate/hydroxypyruvate reductase, SULFATE ION
著者Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2017-01-31
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
4ZE6
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Endothiapepsin in complex with fragment B39
分子名称: 1,2-ETHANEDIOL, 7-aminoheptanoic acid, ACETATE ION, ...
著者Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
登録日2015-04-20
公開日2016-05-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
4ZA4
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BU of 4za4 by Molmil
Structure of A. niger Fdc1 with the prenylated-flavin cofactor in the iminium form.
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Fdc1, MANGANESE (II) ION, ...
著者Payne, K.A.P, Leys, D.
登録日2015-04-13
公開日2015-06-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
4YZT
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BU of 4yzt by Molmil
Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis complexed with cellotetraose
分子名称: 1,2-ETHANEDIOL, Cellulose hydrolase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Liberato, M.V, Popov, A, Polikarpov, I.
登録日2015-03-25
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.665 Å)
主引用文献Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism.
Sci Rep, 6, 2016
2ODW
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BU of 2odw by Molmil
MSrecA-ATP-GAMA-S complex
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein recA
著者Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M.
登録日2006-12-27
公開日2007-06-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
4Z0B
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BU of 4z0b by Molmil
Crystal Structure of the Fab Fragment of Anti-ofloxacin Antibody and Exploration Its Receptor Binding Site
分子名称: PHOSPHATE ION, antibody heavy chain, antibody light chain
著者He, K, Du, X, Sheng, W, Zhou, X, Wang, J, Wang, S.
登録日2015-03-26
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structure of the Fab Fragment of an Anti-ofloxacin Antibody and Exploration of Its Specific Binding.
J.Agric.Food Chem., 64, 2016
6CWV
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BU of 6cwv by Molmil
Protein Tyrosine Phosphatase 1B A122S mutant
分子名称: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
著者Hjortness, M, Zwart, P, Sankaran, B, Fox, J.M.
登録日2018-03-31
公開日2018-10-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.98002291 Å)
主引用文献Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases.
Biochemistry, 57, 2018
4YXU
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Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4).
分子名称: 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-23
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4Z32
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BU of 4z32 by Molmil
Crystal Structure of the FERM-SH2 Domains of Jak2
分子名称: Tyrosine-protein kinase JAK2
著者McNally, R, Eck, M.J.
登録日2015-03-30
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Crystal Structure of the FERM-SH2 Module of Human Jak2.
Plos One, 11, 2016
4Z6C
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BU of 4z6c by Molmil
Structure of human DNA polymerase beta 279NA mutant complexed with G in the template base paired with incoming non-hydrolyzable CTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2015-04-04
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.677 Å)
主引用文献Insights into the effect of minor groove interactions and metal cofactors on mutagenic replication by human DNA polymerase beta.
Biochem. J., 475, 2018
4Z1N
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BU of 4z1n by Molmil
Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-27
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
4Z8A
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BU of 4z8a by Molmil
SH3-III of Drosophila Rim-binding protein bound to a Cacophony derived peptide
分子名称: RIM-binding protein, isoform F, Voltage-dependent calcium channel type A subunit alpha-1
著者Driller, J.H, Holton, N, Siebert, M, Boehme, A.M, Wahl, M.C, Sigrist, S.J, Loll, B.
登録日2015-04-08
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.759 Å)
主引用文献A high affinity RIM-binding protein/Aplip1 interaction prevents the formation of ectopic axonal active zones.
Elife, 4, 2015
6CU9
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BU of 6cu9 by Molmil
Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable CTP and MANGANESE
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*(CGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2018-03-24
公開日2019-03-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable CTP and MANGANESE
To Be Published
4Z2U
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Crystal Structure of 2-hydroxybiphenyl 3-monooxygenase R242Q from Pseudomonas azelaica
分子名称: 2-hydroxybiphenyl-3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
著者Kanteev, M, Bregman-Cohen, A, Fishman, A.
登録日2015-03-30
公開日2015-08-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A crystal structure of 2-hydroxybiphenyl 3-monooxygenase with bound substrate provides insights into the enzymatic mechanism.
Biochim.Biophys.Acta, 1854, 2015
4Z3B
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Crystal structure of MnCO/apo-R52CFr
分子名称: CADMIUM ION, Ferritin light chain, GLYCEROL, ...
著者Fujita, K, Tanaka, Y, Abe, S, Ueno, T.
登録日2015-03-31
公開日2015-10-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A Photoactive Carbon-Monoxide-Releasing Protein Cage for Dose-Regulated Delivery in Living Cells
Angew.Chem.Int.Ed.Engl., 55, 2016
4Z3K
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BU of 4z3k by Molmil
Human sepiapterin reductase in complex with the cofactor NADP+ and the trypthophan metabolite xanthurenic acid
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Johnsson, K.
登録日2015-03-31
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Tetrahydrobiopterin Biosynthesis as a Potential Target of the Kynurenine Pathway Metabolite Xanthurenic Acid.
J.Biol.Chem., 291, 2016
4Z44
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F454K Mutant of Tryptophan 7-halogenase PrnA
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ...
著者Shepherd, S.A, Karthikeyan, C, Latham, J, Struck, A.-W, Thompson, M.L, Menon, B, Levy, C.W, Leys, D, Micklefield, J.
登録日2015-04-01
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes.
Chem Sci, 6, 2015
4Z6I
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Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand
分子名称: Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate
著者Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
登録日2015-04-05
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
5VAQ
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Crystal Structure of Beta-Klotho in Complex with FGF21CT
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-klotho, Fibroblast growth factor 21, ...
著者Lee, S, Schlessinger, J.
登録日2017-03-27
公開日2018-01-31
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (2.606 Å)
主引用文献Structures of beta-klotho reveal a 'zip code'-like mechanism for endocrine FGF signalling.
Nature, 553, 2018
4Z6P
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Structure of H200Q variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with HPCA at 1.75 Ang resolution
分子名称: 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID, CHLORIDE ION, FE (II) ION, ...
著者Kovaleva, E.G, Lipscomb, J.D.
登録日2015-04-06
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015

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