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7FR7
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BU of 7fr7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z431872694
Descriptor: 6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR8
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BU of 7fr8 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890408258 - (R) isomer
Descriptor: (2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR4
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BU of 7fr4 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A26A - (S) isomer
Descriptor: 2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide, DIMETHYL SULFOXIDE, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR1
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BU of 7fr1 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1423250928
Descriptor: 1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR3
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BU of 7fr3 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A01A - (S) isomer
Descriptor: 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRB
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BU of 7frb by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551426009 - (S) isomer
Descriptor: 1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRC
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BU of 7frc by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A05 - (R) isomer
Descriptor: 3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRD
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BU of 7frd by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A25A - (S) isomer
Descriptor: 3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR9
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BU of 7fr9 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1367095370
Descriptor: N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-10-20
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
2A2Z
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BU of 2a2z by Molmil
Crystal Structure of human deoxycytidine kinase in complex with deoxycytidine and uridine diphosphate
Descriptor: 2'-DEOXYCYTIDINE, CALCIUM ION, Deoxycytidine kinase, ...
Authors:Godsey, M.H, Ort, S, Sabini, E, Konrad, M, Lavie, A.
Deposit date:2005-06-23
Release date:2006-01-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structural basis for the preference of UTP over ATP in human deoxycytidine kinase: illuminating the role of main-chain reorganization.
Biochemistry, 45, 2006
3OOC
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BU of 3ooc by Molmil
Crystal structure of the membrane fusion protein CusB from Escherichia coli
Descriptor: Cation efflux system protein cusB
Authors:Su, C.-C, Yang, F, Long, F, Reyon, D, Routh, M.D, Kuo, D.W, Mokhtari, A.K, Van Ornam, J.D, Rabe, K.L, Hoy, J.A, Lee, Y.J, Rajashankar, K.R, Yu, E.W.
Deposit date:2010-08-30
Release date:2010-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.404 Å)
Cite:Crystal structure of the membrane fusion protein CusB from Escherichia coli.
J.Mol.Biol., 393, 2009
3OJP
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BU of 3ojp by Molmil
D52N Mutant of Hen Egg White Lysozyme (HEWL)
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:O'Meara, F, Bradley, J, O'Rourke, P.E, Webb, H, Tynan-Connolly, B.M, Nielsen, J.E.
Deposit date:2010-08-23
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:D52N Mutant of Hen Egg White Lysozyme (HEWL)
TO BE PUBLISHED
3OIA
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BU of 3oia by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio
Descriptor: Camphor 5-monooxygenase, N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-08-18
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio
To be Published
3OYA
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BU of 3oya by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and raltegravir at 2.65 resolution
Descriptor: AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2010-09-23
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
3OZL
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BU of 3ozl by Molmil
Crystal structure of human transthyretin variant A25T in complex with flufenamic acid.
Descriptor: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Transthyretin
Authors:Lima, L.M.T.R, Palmieri, L.C, Foguel, D, Palhano, F.L.
Deposit date:2010-09-25
Release date:2011-09-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human transthyretin variant A25T in complex with flufenamic acid.
To be Published
3P6H
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BU of 3p6h by Molmil
Human adipocyte lipid-binding protein FABP4 in complex with (S)-ibuprofen
Descriptor: Fatty acid-binding protein, adipocyte, IBUPROFEN
Authors:Gonzalez, J.M, Pozharski, E.
Deposit date:2010-10-11
Release date:2011-04-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural analysis of ibuprofen binding to human adipocyte fatty-acid binding protein (FABP4).
Acta Crystallogr F Struct Biol Commun, 71, 2015
3P6T
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BU of 3p6t by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans
Descriptor: Camphor 5-monooxygenase, N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans
To be Published
3PEB
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BU of 3peb by Molmil
The Structure of a Creatine_N Superfamily domain of a dipeptidase from Streptococcus thermophilus.
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Dipeptidase, ...
Authors:Cuff, M.E, Mack, J.C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-10-25
Release date:2010-11-03
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Structure of a Creatine_N Superfamily domain of a dipeptidase from Streptococcus thermophilus.
TO BE PUBLISHED
3PCS
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BU of 3pcs by Molmil
Structure of EspG-PAK2 autoinhibitory Ialpha3 helix complex
Descriptor: EspG, Serine/threonine-protein kinase PAK 2
Authors:Tomchick, D.R, Alto, N.M, Selyunin, A.S.
Deposit date:2010-10-21
Release date:2011-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:The assembly of a GTPase-kinase signalling complex by a bacterial catalytic scaffold.
Nature, 469, 2011
3PMI
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BU of 3pmi by Molmil
PWWP Domain of Human Mutated Melanoma-Associated Antigen 1
Descriptor: DI(HYDROXYETHYL)ETHER, PWWP domain-containing protein MUM1, SULFATE ION, ...
Authors:Lam, R, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2010-11-17
Release date:2010-12-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
3PMT
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BU of 3pmt by Molmil
Crystal structure of the Tudor domain of human Tudor domain-containing protein 3
Descriptor: TETRAETHYLENE GLYCOL, Tudor domain-containing protein 3
Authors:Lam, R, Bian, C.B, Guo, Y.H, Xu, C, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-11-18
Release date:2010-12-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of TDRD3 and Methyl-Arginine Binding Characterization of TDRD3, SMN and SPF30.
Plos One, 7, 2012
3PET
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BU of 3pet by Molmil
Crystal structure of a putative adhesin (BF0245) from Bacteroides fragilis NCTC 9343 at 2.07 A resolution
Descriptor: ACETATE ION, CHLORIDE ION, Putative adhesin, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-10-27
Release date:2011-02-09
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of a putative adhesin (BF0245) from Bacteroides fragilis NCTC 9343 at 2.07 A resolution
To be published
3PF6
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BU of 3pf6 by Molmil
The structure of uncharacterized protein PP-LUZ7_gp033 from Pseudomonas phage LUZ7.
Descriptor: CHLORIDE ION, hypothetical protein PP-LUZ7_gp033
Authors:Cuff, M.E, Evdokimova, E, Liu, F, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-10-28
Release date:2010-11-10
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structure of uncharacterized protein PP-LUZ7_gp033 from Pseudomonas phage LUZ7.
TO BE PUBLISHED
3PG1
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BU of 3pg1 by Molmil
MAP kinase LmaMPK10 from Leishmania major (1.95 angs resolution)
Descriptor: Mitogen-activated protein kinase, putative (Map kinase-like protein)
Authors:Horjales, S, Buschiazzo, A.
Deposit date:2010-10-29
Release date:2011-11-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of the MAP Kinase LmaMPK10 from Leishmania Major Reveals Parasite-Specific Features and Regulatory Mechanisms.
Structure, 20, 2012
3PFN
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BU of 3pfn by Molmil
Crystal Structure of human NAD kinase
Descriptor: NAD kinase, UNKNOWN ATOM OR ION
Authors:Wang, H, Tempel, W, Wernimont, A.K, Tong, Y, Guan, X, Shen, Y, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-10-28
Release date:2010-11-10
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of human NAD kinase
to be published

222415

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