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2R17
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BU of 2r17 by Molmil
Functional architecture of the retromer cargo-recognition complex
Descriptor: GLYCEROL, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35
Authors:Hierro, A, Rojas, A.L, Rojas, R, Murthy, N, Effantin, G, Kajava, A.V, Steven, A.C, Bonifacino, J.S, Hurley, J.H.
Deposit date:2007-08-22
Release date:2007-10-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Functional architecture of the retromer cargo-recognition complex.
Nature, 449, 2007
2R1W
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BU of 2r1w by Molmil
Crystal structure of S25-2 Fab in complex with Kdo analogues
Descriptor: 3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid-(2-8)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Fab, antibody fragment (IgG1k), ...
Authors:Brooks, C.L, Evans, S.V.
Deposit date:2007-08-23
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
J.Mol.Biol., 377, 2008
3E3F
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BU of 3e3f by Molmil
H. influenzae beta-carbonic anhydrase, variant V47A with 100 mM bicarbonate
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, ZINC ION
Authors:Rowlett, R.S, Mysliwiec, M.
Deposit date:2008-08-07
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase .
Biochemistry, 49, 2010
3ED0
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BU of 3ed0 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with emodin
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, BENZAMIDINE, ...
Authors:Zhang, L, Zhang, H, Liu, W, Guo, Y, Shen, X, Jiang, H.
Deposit date:2008-09-02
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Emodin targets the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: enzymatic inhibition assay with crystal structural and thermodynamic characterization
BMC MICROBIOL., 9, 2009
2QZZ
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BU of 2qzz by Molmil
Structure of Eugenol Synthase from Ocimum basilicum
Descriptor: Eugenol synthase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate
Authors:Louie, G.V, Noel, J.P, Bowman, M.E.
Deposit date:2007-08-17
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and reaction mechanism of basil eugenol synthase
Plos One, 2, 2007
2R1S
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BU of 2r1s by Molmil
Structure of the RNA brominated tridecamer r(GCGUU-5BUGAAACGC) at 1.4 A (Br1)
Descriptor: MAGNESIUM ION, RNA (5'-R(*GP*CP*GP*UP*UP*(5BU)P*GP*AP*AP*AP*CP*GP*C)-3'), SODIUM ION
Authors:Timsit, Y, Bombard, S.
Deposit date:2007-08-23
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The 1.3 A resolution structure of the RNA tridecamer r(GCGUUUGAAACGC): Metal ion binding correlates with base unstacking and groove contraction.
Rna, 13, 2007
2R25
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BU of 2r25 by Molmil
Complex of YPD1 and SLN1-R1 with bound Mg2+ and BeF3-
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Osmosensing histidine protein kinase SLN1, ...
Authors:Copeland, D.M, Zhao, X, Soares, A.S, West, A.H.
Deposit date:2007-08-24
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a complex between the phosphorelay protein YPD1 and the response regulator domain of SLN1 bound to a phosphoryl analog
J.Mol.Biol., 375, 2008
4G1K
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BU of 4g1k by Molmil
Crystal structure of triosephosphate isomerase from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-07-10
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3EH7
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BU of 3eh7 by Molmil
The structure of a putative 4-hydroxybutyrate CoA-transferase from Porphyromonas gingivalis W83
Descriptor: 4-hydroxybutyrate CoA-transferase, CHLORIDE ION
Authors:Cuff, M.E, Duggan, E, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-09-11
Release date:2008-12-09
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The structure of a putative 4-hydroxybutyrate CoA-transferase from Porphyromonas gingivalis W83
TO BE PUBLISHED
2R4E
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BU of 2r4e by Molmil
Crystal structure of Escherichia coli Glycerol-3-phosphate Dehydrogenase in complex with DHAP
Descriptor: 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, Aerobic glycerol-3-phosphate dehydrogenase, ...
Authors:Yeh, J.I, Du, S, Chinte, U.
Deposit date:2007-08-31
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of glycerol-3-phosphate dehydrogenase, an essential monotopic membrane enzyme involved in respiration and metabolism.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2R30
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BU of 2r30 by Molmil
Crystal Structure of human GITRL mutant
Descriptor: Tumor necrosis factor ligand superfamily member 18
Authors:Chattopadhyay, K, Ramagopal, U.A, Nathenson, S.G, Almo, S.C.
Deposit date:2007-08-28
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Assembly and structural properties of glucocorticoid-induced TNF receptor ligand: Implications for function.
Proc.Natl.Acad.Sci.USA, 104, 2007
2R3C
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BU of 2r3c by Molmil
Structure of the gp41 N-peptide in complex with the HIV entry inhibitor PIE1
Descriptor: CHLORIDE ION, HIV entry inhibitor PIE1, YTTRIUM (III) ION, ...
Authors:VanDemark, A.P, Welch, B, Heroux, A, Hill, C.P, Kay, M.S.
Deposit date:2007-08-29
Release date:2007-10-02
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Potent D-peptide inhibitors of HIV-1 entry
Proc.Natl.Acad.Sci.Usa, 104, 2007
4G2Y
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BU of 4g2y by Molmil
Crystal structure of PDE5A complexed with its inhibitor
Descriptor: 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Ren, J, Chen, T.T, Xu, Y.C.
Deposit date:2012-07-13
Release date:2013-06-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
4G38
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BU of 4g38 by Molmil
Mutational analysis of sulfite reductase hemoprotein reveals the mechanism for coordinated electron and proton transfer
Descriptor: IRON/SULFUR CLUSTER, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Smith, K.W, Stroupe, M.E.
Deposit date:2012-07-13
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Mutational analysis of sulfite reductase hemoprotein reveals the mechanism for coordinated electron and proton transfer.
Biochemistry, 51, 2012
2R6G
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BU of 2r6g by Molmil
The Crystal Structure of the E. coli Maltose Transporter
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Maltose transport system permease protein malF, Maltose transport system permease protein malG, ...
Authors:Oldham, M.L, Khare, D, Quiocho, F.A, Davidson, A.L, Chen, J.
Deposit date:2007-09-05
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a catalytic intermediate of the maltose transporter.
Nature, 450, 2007
2RDU
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BU of 2rdu by Molmil
Crystal Structure of Human Glycolate Oxidase in Complex with Glyoxylate
Descriptor: FLAVIN MONONUCLEOTIDE, GLYOXYLIC ACID, Hydroxyacid oxidase 1
Authors:Murray, M.S, Holmes, R.P, Lowther, W.T.
Deposit date:2007-09-25
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Active Site and Loop 4 Movements within Human Glycolate Oxidase: Implications for Substrate Specificity and Drug Design.
Biochemistry, 47, 2008
5RU1
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BU of 5ru1 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000034687
Descriptor: DIPHENYLACETIC ACID, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RUI
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BU of 5rui by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332651
Descriptor: Non-structural protein 3, isoquinolin-1(2H)-one
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
2R86
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BU of 2r86 by Molmil
Crystal structure of PurP from Pyrococcus furiosus complexed with ATP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ...
Authors:Zhang, Y, White, R.H, Ealick, S.E.
Deposit date:2007-09-10
Release date:2007-12-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
2REO
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BU of 2reo by Molmil
Crystal structure of human sulfotransferase 1C3 (Sult1C3) in complex with PAP
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Putative sulfotransferase 1C3
Authors:Tempel, W, Pan, P, Dong, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-09-26
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Crystal structure of human sulfotransferase 1C3 (Sult1C3) in complex with PAP.
To be Published
4G4L
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BU of 4g4l by Molmil
Crystal structure of the de novo designed peptide alpha4tbA6
Descriptor: ACETYL GROUP, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ...
Authors:Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
Deposit date:2012-07-16
Release date:2012-10-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains.
Protein Sci., 21, 2012
2R8N
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BU of 2r8n by Molmil
Structural Analysis of the Unbound Form of HIV-1 Subtype C Protease
Descriptor: GLYCEROL, Pol protein
Authors:Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M.
Deposit date:2007-09-11
Release date:2008-07-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:High-resolution structure of unbound human immunodeficiency virus 1 subtype C protease: implications of flap dynamics and drug resistance.
Acta Crystallogr.,Sect.D, 64, 2008
4G4Y
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BU of 4g4y by Molmil
Crystal structure of OmpA peptidoglycan-binding domain from Acinetobacter baumannii
Descriptor: ALANINE, Outer membrane protein Omp38, SULFATE ION
Authors:Lee, W.C, Song, J.H, Park, J.S, Kim, H.Y.
Deposit date:2012-07-16
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Enantiomer-dependent amino acid binding affinity of OmpA-like domains from Acinetobacter baumannii peptidoglycan-associated lipoprotein and OmpA
To be Published
5RUX
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BU of 5rux by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002020050
Descriptor: 1,3-dihydro-2H-indol-2-one, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RVF
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BU of 5rvf by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000082473428_N3
Descriptor: 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021

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