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1VZG
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BU of 1vzg by Molmil
Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction
Descriptor: CALCIUM ION, DESULFOFERRODOXIN, FE (III) ION, ...
Authors:Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D.
Deposit date:2004-05-19
Release date:2004-08-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction
Structure, 12, 2004
6XM3
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BU of 6xm3 by Molmil
Structure of SARS-CoV-2 spike at pH 5.5, single RBD up, conformation 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D.
Deposit date:2020-06-29
Release date:2020-08-12
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
1W19
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BU of 1w19 by Molmil
Lumazine Synthase from Mycobacterium tuberculosis bound to 3-(1,3,7- trihydro-9-D-ribityl-2,6,8-purinetrione-7-yl)propane 1-phosphate
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (4S,5S)-1,2-DITHIANE-4,5-DIOL, ...
Authors:Morgunova, E, Meining, W, Illarionov, B, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
Deposit date:2004-06-03
Release date:2005-03-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Lumazine Synthase from Mycobacterium Tuberculosis as a Target for Rational Drug Design: Binding Mode of a New Class of Purinetrione Inhibitors(,)
Biochemistry, 44, 2005
5VTU
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BU of 5vtu by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin G225L/L226S mutant apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-05-18
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Diversity of Functionally Permissive Sequences in the Receptor-Binding Site of Influenza Hemagglutinin.
Cell Host Microbe, 21, 2017
3VC4
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BU of 3vc4 by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, IMIDAZOLE, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-03
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
1W23
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BU of 1w23 by Molmil
Crystal structure of phosphoserine aminotransferase from Bacillus alcalophilus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Dubnovitsky, A, Kapetaniou, E.G, Papageorgiou, A.C.
Deposit date:2004-06-25
Release date:2004-12-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Enzyme Adaptation to Alkaline Ph: Atomic Resolution (1.08 A) Structure of Phosphoserine Aminotransferase from Bacillus Alcalophilus
Protein Sci., 14, 2005
1W8J
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BU of 1w8j by Molmil
Crystal Structure Of Myosin V Motor Domain - Nucleotide-Free
Descriptor: MYOSIN VA, SULFATE ION
Authors:Coureux, P.-D, Sweeney, H.L, Houdusse, A.
Deposit date:2004-09-22
Release date:2005-02-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Three Myosin V Structures Delineate Essential Features of Chemo-Mechanical Transduction
Embo J., 23, 2004
2DBW
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BU of 2dbw by Molmil
Crystal Structure of Gamma-glutamyltranspeptidase from Escherichia coli Acyl-Enzyme Intermediate
Descriptor: GAMMA-L-GLUTAMIC ACID, GLYCEROL, Gamma-glutamyltranspeptidase
Authors:Okada, T, Wada, K, Fukuyama, K.
Deposit date:2005-12-16
Release date:2006-04-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of gamma-glutamyltranspeptidase from Escherichia coli, a key enzyme in glutathione metabolism, and its reaction intermediate
Proc.Natl.Acad.Sci.USA, 103, 2006
4WDD
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BU of 4wdd by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation T232A, complexed with citrate
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, CITRIC ACID, ...
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-08
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
3VCR
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BU of 3vcr by Molmil
Crystal structure of a putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase from Oleispira antarctica
Descriptor: PYRUVIC ACID, putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase
Authors:Stogios, P.J, Kagan, O, Di Leo, R, Yim, V, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-01-04
Release date:2012-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
2DBX
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BU of 2dbx by Molmil
Crystal Structure of Gamma-glutamyltranspeptidase from Escherichia coli Complexed with L-Glutamate
Descriptor: CALCIUM ION, GLUTAMIC ACID, GLYCEROL, ...
Authors:Okada, T, Wada, K, Fukuyama, K.
Deposit date:2005-12-16
Release date:2006-04-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of gamma-glutamyltranspeptidase from Escherichia coli, a key enzyme in glutathione metabolism, and its reaction intermediate.
Proc.Natl.Acad.Sci.Usa, 103, 2006
6XP1
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BU of 6xp1 by Molmil
Structure of human PYCR1 complexed with L-thiazolidine-2-carboxylate
Descriptor: (2S)-1,3-thiazolidine-2-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
Authors:Tanner, J.J, Christensen, E.M.
Deposit date:2020-07-07
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In crystallo screening for proline analog inhibitors of the proline cycle enzyme PYCR1.
J.Biol.Chem., 295, 2020
4ZZH
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BU of 4zzh by Molmil
SIRT1/Activator Complex
Descriptor: (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION
Authors:Dai, H.
Deposit date:2015-05-22
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1001 Å)
Cite:Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
6XPD
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BU of 6xpd by Molmil
Cryo-EM structure of human ZnT8 double mutant - D110N and D224N, determined in outward-facing conformation
Descriptor: ZINC ION, Zinc transporter 8
Authors:Bai, X.C, Xue, J, Jiang, Y.X.
Deposit date:2020-07-08
Release date:2020-08-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures of human ZnT8 in both outward- and inward-facing conformations.
Elife, 9, 2020
4WBI
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BU of 4wbi by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutations H230Q and H309Q
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-03
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
6V11
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BU of 6v11 by Molmil
Lon Protease from Yersinia pestis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lon protease
Authors:Shin, M, Puchades, C, Asmita, A, Puri, N, Adjei, E, Wiseman, R.L, Karzai, A.W, Lander, G.C.
Deposit date:2019-11-19
Release date:2020-01-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for distinct operational modes and protease activation in AAA+ protease Lon.
Sci Adv, 6, 2020
1MWN
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BU of 1mwn by Molmil
Solution NMR structure of S100B bound to the high-affinity target peptide TRTK-12
Descriptor: CALCIUM ION, F-actin capping protein alpha-1 subunit, S-100 protein, ...
Authors:Inman, K.G, Yang, R, Rustandi, R.R, Miller, K.E, Baldisseri, D.M, Weber, D.J.
Deposit date:2002-09-30
Release date:2002-12-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR structure of S100B bound to the high-affinity target peptide TRTK-12
J.Mol.Biol., 324, 2002
6XS3
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BU of 6xs3 by Molmil
X-ray structure of the monoclinic crystal form at 2.48 A resolution of lipase from Thermomyces (Humicola) lanuginosa at 298 K
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, CALCIUM ION, ...
Authors:McPherson, A.
Deposit date:2020-07-14
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The crystal Structures of Thermomyces (Humicola) lanuginosa lipase in complex with enzymatic reactants
Current Enzyme Inhibition, 16, 2020
3VVL
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BU of 3vvl by Molmil
Crystal structure of L-serine-O-acetyltransferase found in D-cycloserine biosynthetic pathway
Descriptor: Homoserine O-acetyltransferase
Authors:Oda, K, Matoba, Y, Kumagai, T, Noda, M, Sugiyama, M.
Deposit date:2012-07-26
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystallographic study to determine the substrate specificity of an L-serine-acetylating enzyme found in the D-cycloserine biosynthetic pathway
J.Bacteriol., 195, 2013
6XU1
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BU of 6xu1 by Molmil
Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with GTP, dAMPNPP and Mg
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
Authors:Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A.
Deposit date:2020-01-17
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
1U5M
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BU of 1u5m by Molmil
Structure of a Chordin-like Cysteine-rich Repeat (VWC module) from Collagen IIA
Descriptor: alpha 1 type II collagen isoform 1
Authors:O'Leary, J.M, Hamilton, J.m, Deane, C.M, Valeyev, N.V, Sandell, L.J, Downing, A.K.
Deposit date:2004-07-28
Release date:2004-10-05
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Solution structure and dynamics of a prototypical chordin-like cysteine-rich repeat (von Willebrand Factor type C module) from collagen IIA
J.Biol.Chem., 279, 2004
6XT5
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BU of 6xt5 by Molmil
Jack bean asparaginyl endopeptidase
Descriptor: Legumain
Authors:Nonis, S.G, Haywood, J, Schmidberger, J.W, Bond, C.S.
Deposit date:2020-07-17
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural and biochemical analyses of concanavalin A circular permutation by jack bean asparaginyl endopeptidase.
Plant Cell, 33, 2021
4WCA
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BU of 4wca by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H230Q, complexed with citrate
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, CITRIC ACID, ...
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-04
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4ZW9
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BU of 4zw9 by Molmil
Crystal structure of human GLUT3 bound to D-glucose in the outward-occluded conformation at 1.5 angstrom
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
Authors:Deng, D, Sun, P.C, Yan, C.Y, Yan, N.
Deposit date:2015-05-19
Release date:2015-07-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
6RAL
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BU of 6ral by Molmil
Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019

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