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6CIE
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BU of 6cie by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with N-(1-(2-(Ethyl(methyl)amino)ethyl)-1,2,3,4-tetrahydroquino-lin-6-yl)thiophene-2-carboximidamide
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2018-02-23
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides.
Biochemistry, 57, 2018
4ZEO
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BU of 4zeo by Molmil
Crystal structure of eIF2B delta from Chaetomium thermophilum
Descriptor: Translation initiation factor eif-2b-like protein
Authors:Kuhle, B, Ficner, R.
Deposit date:2015-04-20
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Architecture of the eIF2B regulatory subcomplex and its implications for the regulation of guanine nucleotide exchange on eIF2.
Nucleic Acids Res., 43, 2015
4ZFO
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BU of 4zfo by Molmil
J22.9-xi: chimeric mouse/human antibody against human BCMA (CD269)
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, J22.9-xi Fab, ...
Authors:Marino, S.F, Daumke, O, Olal, D.
Deposit date:2015-04-21
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Potent anti-tumor response by targeting B cell maturation antigen (BCMA) in a mouse model of multiple myeloma.
Mol Oncol, 9, 2015
4ZGJ
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BU of 4zgj by Molmil
Double Mutant H80A/H81A of Fe-Type Nitrile Hydratase from Comamonas testosteroni Ni1
Descriptor: FE (III) ION, Nitrile hydratase alpha subunit, Nitrile hydratase beta subunit
Authors:Wu, R, Martinez, S, Holz, R, Liu, D.
Deposit date:2015-04-23
Release date:2015-07-01
Last modified:2015-07-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analyzing the catalytic role of active site residues in the Fe-type nitrile hydratase from Comamonas testosteroni Ni1.
J.Biol.Inorg.Chem., 20, 2015
5UK4
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BU of 5uk4 by Molmil
VESICULAR STOMATITS VIRUS N PROTEIN IN COMPLEX WITH INHIBITORY NANOBODY 1307
Descriptor: Anti-vesicular stomatitis virus N VHH, Nucleoprotein, RNA (45-MER)
Authors:Hanke, L, Knockenhauer, K.E, Ploegh, H.L, Schwartz, T.U.
Deposit date:2017-01-19
Release date:2017-04-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.204 Å)
Cite:Vesicular stomatitis virus N protein-specific single-domain antibody fragments inhibit replication.
EMBO Rep., 18, 2017
4ZIM
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BU of 4zim by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR
Descriptor: 3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2015-04-28
Release date:2015-06-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
6CKH
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BU of 6ckh by Molmil
Manduca sexta Peptidoglycan Recognition Protein-1
Descriptor: Peptidoglycan-recognition protein
Authors:Hu, Y.
Deposit date:2018-02-28
Release date:2019-06-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The three-dimensional structure and recognition mechanism of Manduca sexta peptidoglycan recognition protein-1.
Insect Biochem.Mol.Biol., 108, 2019
2O4L
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BU of 2o4l by Molmil
Crystal Structure of HIV-1 Protease (Q7K, I50V) in Complex with Tipranavir
Descriptor: CHLORIDE ION, GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, ...
Authors:Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
Deposit date:2006-12-04
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
5UOC
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BU of 5uoc by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2017-01-31
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
6CKJ
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BU of 6ckj by Molmil
N. meningitidis CMP-sialic acid synthetase, ligand-free
Descriptor: ACETATE ION, CALCIUM ION, N-acylneuraminate cytidylyltransferase
Authors:Matthews, M.M, Fisher, A.J, Chen, X.
Deposit date:2018-02-28
Release date:2019-03-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Catalytic Cycle ofNeisseria meningitidisCMP-Sialic Acid Synthetase Illustrated by High-Resolution Protein Crystallography.
Biochemistry, 2019
4ZJK
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BU of 4zjk by Molmil
FIVE MINUTES IRON LOADED HUMAN H FERRITIN
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin heavy chain, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2015-04-29
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
4ZKT
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BU of 4zkt by Molmil
Crystal structure of the progenitor M complex of Clostridium botulinum type E neurotoxin
Descriptor: Bontoxilysin A, Botulinum neurotoxin type E, nontoxic-nonhemagglutinin component, ...
Authors:Eswaramoorthy, S, Swaminathan, S.
Deposit date:2015-04-30
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Molecular Assembly of Clostridium botulinum progenitor M complex of type E.
Sci Rep, 5, 2015
4ZLR
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BU of 4zlr by Molmil
Structure of the Brat-NHL domain bound to consensus RNA motif
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brain tumor protein, PENTAETHYLENE GLYCOL, ...
Authors:Jakob, L, Treiber, N, Treiber, T, Stotz, M, Loedige, I, Meister, G.
Deposit date:2015-05-01
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of the NHL Domain in Complex with RNA Reveals the Molecular Basis of Drosophila Brain-Tumor-Mediated Gene Regulation.
Cell Rep, 13, 2015
4ZQC
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BU of 4zqc by Molmil
Tryptophan Synthase from Salmonella typhimurium in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and a single F6F molecule in the beta-site at 1.54 Angstrom resolution.
Descriptor: 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2015-05-08
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
2O9K
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BU of 2o9k by Molmil
WDR5 in Complex with Dimethylated H3K4 Peptide
Descriptor: H3 HISTONE, WD repeat protein 5
Authors:Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-12-13
Release date:2006-12-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Molecular Recognition and Presentation of Histone H3 by Wdr5.
Embo J., 25, 2006
6D06
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BU of 6d06 by Molmil
Human ADAR2d E488Y mutant complexed with dsRNA containing an abasic site opposite the edited base
Descriptor: Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*CP*AP*GP*AP*GP*CP*CP*CP*CP*CP*NP*AP*GP*CP*AP*UP*CP*GP*CP*GP*AP*GP*C)-3'), ...
Authors:Matthews, M.M, Fisher, A.J, Beal, P.A.
Deposit date:2018-04-10
Release date:2019-02-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A Bump-Hole Approach for Directed RNA Editing.
Cell Chem Biol, 26, 2019
5US6
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BU of 5us6 by Molmil
Structure of Dihydrodipicolinate Reductase from Vibrio vulnificus Bound to NADH and 2,6 Pyridine Dicarboxylic Acid with Intact Polyhistidine Tag
Descriptor: 4-hydroxy-tetrahydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRIDINE-2,6-DICARBOXYLIC ACID, ...
Authors:Mank, N.M, Arnette, A.K, Chruszcz, M.
Deposit date:2017-02-13
Release date:2018-02-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus.
Biochim Biophys Acta Gen Subj, 1865, 2021
6D0K
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BU of 6d0k by Molmil
Crystal structure of a CLC-type fluoride/proton antiporter, E118Q mutant
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CLC-type fluoride/proton antiporter, DECYL-BETA-D-MALTOPYRANOSIDE, ...
Authors:Last, N.B, Stockbridge, R.B, Wilson, A.E, Shane, T, Kolmakova-Partensky, L, Koide, A, Koide, S, Miller, C.
Deposit date:2018-04-10
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:A CLC-type F-/H+antiporter in ion-swapped conformations.
Nat. Struct. Mol. Biol., 25, 2018
5V2X
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BU of 5v2x by Molmil
Ethylene forming enzyme in complex with manganese and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, MANGANESE (II) ION
Authors:Fellner, M, Martinez, S, Hu, J, Hausinger, R.P.
Deposit date:2017-03-06
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
5V3P
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BU of 5v3p by Molmil
Human A20 OTU domain (I325N) with acetamidylated C103
Descriptor: Tumor necrosis factor alpha-induced protein 3
Authors:Langley, D.B, Christ, D, Grey, S.
Deposit date:2017-03-07
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019
6D1Y
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BU of 6d1y by Molmil
Crystal structure of Tyrosine-protein kinase receptor in complex with 2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide Inhibitor
Descriptor: 2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide, High affinity nerve growth factor receptor
Authors:Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
4ZC6
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BU of 4zc6 by Molmil
Crystal Structure of human GGT1 in complex with Serine Borate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Gamma-glutamyltranspeptidase 1 heavy chain, ...
Authors:Terzyan, S, Hanigan, M.
Deposit date:2015-04-15
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
4ZCH
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BU of 4zch by Molmil
Single-chain human APRIL-BAFF-BAFF Heterotrimer
Descriptor: TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, Tumor necrosis factor ligand superfamily member 13,Tumor necrosis factor ligand superfamily member 13B,Tumor necrosis factor ligand superfamily member 13B
Authors:Lammens, A, Jiang, X, Maskos, K, Schneider, P.
Deposit date:2015-04-16
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Stoichiometry of Heteromeric BAFF and APRIL Cytokines Dictates Their Receptor Binding and Signaling Properties.
J.Biol.Chem., 290, 2015
4Z6V
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BU of 4z6v by Molmil
Structure of H200Q variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-nitrocatechol at 1.37 Ang resolution
Descriptor: 4-NITROCATECHOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Kovaleva, E.G, Lipscomb, J.D.
Deposit date:2015-04-06
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
2OES
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BU of 2oes by Molmil
MSrecA-native-SSB
Descriptor: PHOSPHATE ION, Protein recA
Authors:Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M.
Deposit date:2007-01-01
Release date:2007-06-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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

223790

数据于2024-08-14公开中

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