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6B58
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BU of 6b58 by Molmil
FrdA-SdhE assembly intermediate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sharma, P, Iverson, T.M.
Deposit date:2017-09-28
Release date:2018-01-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.611 Å)
Cite:Crystal structure of an assembly intermediate of respiratory Complex II.
Nat Commun, 9, 2018
4MK1
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BU of 4mk1 by Molmil
5-bromopyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease
Descriptor: 1,2-ETHANEDIOL, 5-bromo-3-hydroxypyridin-2(1H)-one, MANGANESE (II) ION, ...
Authors:Bauman, J.D, Patel, D, Das, K, Arnold, E.
Deposit date:2013-09-04
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
3LGH
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BU of 3lgh by Molmil
Crystal structure of NikR from Helicobacter pylori with variable Ni site coordination
Descriptor: MAGNESIUM ION, NICKEL (II) ION, nickel-responsive regulator
Authors:Pozharski, E, St John, F.
Deposit date:2010-01-20
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Holo-Ni(II)HpNikR Is an Asymmetric Tetramer Containing Two Different Nickel-Binding Sites.
J.Am.Chem.Soc., 132, 2010
1H8Y
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BU of 1h8y by Molmil
Crystal structure of the class D beta-lactamase OXA-13 in complex with meropenem
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, BETA-LACTAMASE, SULFATE ION
Authors:Pernot, L, Frenois, F, Rybkine, T, L'Hermite, G, Petrella, S, Delettre, J, Jarlier, V, Collatz, E, Sougakoff, W.
Deposit date:2001-02-17
Release date:2001-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of the Class D B-Lactamase Oxa-13 in the Native Form and in Complex with Meropenem
J.Mol.Biol., 310, 2001
1E5H
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BU of 1e5h by Molmil
DELTA-R307A DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH SUCCINATE AND CARBON DIOXIDE
Descriptor: CARBON DIOXIDE, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION, ...
Authors:Lee, H.J, Lloyd, M.D, Harlos, K, Clifton, I.J, Baldwin, J.E, Schofield, C.J.
Deposit date:2000-07-26
Release date:2001-07-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Kinetic and Crystallographic Studies on Deacetoxycephalosporin C Synthase (Daocs)
J.Mol.Biol., 308, 2001
1YMH
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BU of 1ymh by Molmil
anti-HCV Fab 19D9D6 complexed with protein L (PpL) mutant A66W
Descriptor: Fab 16D9D6, heavy chain, light chain, ...
Authors:Granata, V, Housden, N.G, Harrison, S, Jolivet-Reynaud, C, Gore, M.G, Stura, E.A.
Deposit date:2005-01-21
Release date:2005-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Comparison of the crystallization and crystal packing of two Fab single-site mutant protein L complexes.
Acta Crystallogr.,Sect.D, 61, 2005
5WCQ
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BU of 5wcq by Molmil
Phosphotriesterase variant S2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-07-01
Release date:2018-07-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:Phosphotriesterase variant S2
To Be Published
1HHS
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BU of 1hhs by Molmil
RNA dependent RNA polymerase from dsRNA bacteriophage phi6
Descriptor: MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Grimes, J.M, Butcher, S.J, Makeyev, E.V, Bamford, D.H, Stuart, D.I.
Deposit date:2000-12-28
Release date:2001-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Mechanism for Initiating RNA-Dependent RNA Polymerization
Nature, 410, 2001
5OGB
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BU of 5ogb by Molmil
Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC360.
Descriptor: 4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2
Authors:Chisholm, D, Tomlinson, C, Whiting, A, Pohl, E.
Deposit date:2017-07-12
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fluorescent Retinoic Acid Analogues as Probes for Biochemical and Intracellular Characterization of Retinoid Signaling Pathways.
Acs Chem.Biol., 14, 2019
2J3E
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BU of 2j3e by Molmil
Dimerization is important for the GTPase activity of chloroplast translocon components atToc33 and psToc159
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, T7I23.11 PROTEIN
Authors:Yeh, Y.-H, Kesavulu, M.M, Wu, S.-Z, Li, H.-M, Sun, Y.-J, Konozy, E.H, Hsiao, C.-D.
Deposit date:2006-08-21
Release date:2007-03-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Dimerization is Important for the Gtpase Activity of Chloroplast Translocon Components Attoc33 and Pstoc159.
J.Biol.Chem., 282, 2007
1PFQ
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BU of 1pfq by Molmil
crystal structure of human apo dipeptidyl peptidase IV / CD26
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV soluble form
Authors:Oefner, C, D'Arcy, A, Mac Sweeney, A, Pierau, S, Gardiner, R, Dale, G.E.
Deposit date:2003-05-27
Release date:2003-07-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution structure of human apo dipeptidyl peptidase IV/CD26 and its complex with 1-[([2-[(5-iodopyridin-2-yl)amino]-ethyl]amino)-acetyl]-2-cyano-(S)-pyrrolidine.
Acta Crystallogr.,Sect.D, 59, 2003
1H7H
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BU of 1h7h by Molmil
The structure of CMP:2-keto-3-deoxy-manno-octonic acid synthetase and of its complexes with substrates and substrate analogues, CDP complex
Descriptor: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE, CYTIDINE-5'-DIPHOSPHATE
Authors:Jelakovic, S, Schulz, G.E.
Deposit date:2001-07-06
Release date:2001-09-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase and of its Complexes with Substrates and Substrate Analogs
J.Mol.Biol., 312, 2001
1H7F
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BU of 1h7f by Molmil
The structure of CMP:2-keto-3-deoxy-manno-octonic acid synthetase and of its complexes with substrates and substrate analogues, CMP complex
Descriptor: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE
Authors:Jelakovic, S, Schulz, G.E.
Deposit date:2001-07-06
Release date:2001-09-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The Structure of Cmp:2-Keto-3-Deoxy-Manno-Octonic Acid Synthetase and of its Complexes with Substrates and Substrate Analogs
J.Mol.Biol., 312, 2001
2J5R
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BU of 2j5r by Molmil
2.25 A resolution structure of the wild type malate dehydrogenase from Haloarcula marismortui after second radiation burn (radiation damage series)
Descriptor: CHLORIDE ION, MALATE DEHYDROGENASE
Authors:Fioravanti, E, Vellieux, F.M.D, Amara, P, Madern, D, Weik, M.
Deposit date:2006-09-19
Release date:2006-09-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Specific Radiation Damage to Acidic Residues and its Relation to Their Chemical and Structural Environment.
J.Synchrotron Radiat., 14, 2007
5WMB
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BU of 5wmb by Molmil
Structure of the 10S (-)-cis-BP-dG modified Rev1 ternary complex (the BP residue is disordered)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Rechkoblit, O, Kolbanovsky, A, Landes, H, Geacintov, N.E, Aggarwal, A.K.
Deposit date:2017-07-28
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase.
Nat Commun, 8, 2017
6AOM
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BU of 6aom by Molmil
Structure of molecular chaperone Grp94 bound to selective inhibitor methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, Endoplasmin, ...
Authors:Lieberman, R.L, Huard, D.J.E.
Deposit date:2017-08-16
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Second Generation Grp94-Selective Inhibitors Provide Opportunities for the Inhibition of Metastatic Cancer.
Chemistry, 23, 2017
2XX3
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BU of 2xx3 by Molmil
HUMAN THYMIDYLATE KINASE COMPLEXED WITH thymidine butenyl phosphonate monophosphate and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N1-[(E)-4-DIHYDROXYPHOSPHONYL-BUT-2-ENYL]-THYMINE, ...
Authors:Caillat, C, Meyer, P.
Deposit date:2010-11-08
Release date:2011-12-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Antiviral C5-Substituted Pyrimidine Acyclic Nucleoside Phosphonates Selected as Human Thymidylate Kinase Substrates.
J.Med.Chem., 54, 2011
2J5Q
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BU of 2j5q by Molmil
2.15 A resolution structure of the wild type malate dehydrogenase from Haloarcula marismortui after first radiation burn (radiation damage series)
Descriptor: CHLORIDE ION, MALATE DEHYDROGENASE
Authors:Fioravanti, E, Vellieux, F.M.D, Amara, P, Madern, D, Weik, M.
Deposit date:2006-09-19
Release date:2006-09-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Specific Radiation Damage to Acidic Residues and its Relation to Their Chemical and Structural Environment.
J.Synchrotron Radiat., 14, 2007
1YQF
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BU of 1yqf by Molmil
Hypothetical protein from leishmania major unknown function sequence homologue to human p32 protein
Descriptor: hypothetical protein Lmaj011689
Authors:Caruthers, J, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-02-01
Release date:2005-02-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Hypothetical protein from leishmania major unknown function sequence homologue to human p32 protein
To be published
1PGL
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BU of 1pgl by Molmil
BEAN POD MOTTLE VIRUS (BPMV), MIDDLE COMPONENT
Descriptor: 5'-R(*AP*GP*UP*CP*UP*C)-3', BEAN POD MOTTLE VIRUS LARGE (L) SUBUNIT, BEAN POD MOTTLE VIRUS SMALL (S) SUBUNIT
Authors:Lin, T, Cavarelli, J, Johnson, J.E.
Deposit date:2003-05-28
Release date:2003-11-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Evidence for assembly-dependent folding of protein and RNA in an icosahedral virus.
Virology, 314, 2003
2IWQ
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BU of 2iwq by Molmil
7th PDZ domain of Multiple PDZ Domain Protein MPDZ
Descriptor: MULTIPLE PDZ DOMAIN PROTEIN
Authors:Elkins, J.M, Berridge, G, Savitsky, P, Smee, C.E.A, Turnbull, A, Ugochukwu, E, Papagrigoriou, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A.
Deposit date:2006-07-03
Release date:2006-07-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extensions.
Protein Sci., 16, 2007
1PB3
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BU of 1pb3 by Molmil
Sites of binding and orientation in a four location model for protein stereospecificity.
Descriptor: GLYCEROL, Isocitrate dehydrogenase [NADP], SULFATE ION
Authors:Mesecar, A.D, Koshland Jr, D.E.
Deposit date:2003-05-14
Release date:2003-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sites of Binding and Orientation in a Four-Location Model for Protein Stereospecificity.
IUBMB Life, 49, 2000
6AVE
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BU of 6ave by Molmil
Structure of an acid sensing ion channel in a resting state at high pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1
Authors:Yoder, N, Yoshioka, C, Gouaux, E.
Deposit date:2017-09-02
Release date:2018-03-21
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Gating mechanisms of acid-sensing ion channels.
Nature, 555, 2018
1PB1
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BU of 1pb1 by Molmil
A four location model to explain the stereospecificity of proteins.
Descriptor: GLYCEROL, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP], ...
Authors:Mesecar, A.D, Koshland Jr, D.E.
Deposit date:2003-05-14
Release date:2003-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Biology: A New Model for Protein Stereospecificity.
Nature, 403, 2000
9CYO
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BU of 9cyo by Molmil
Crystal structure of wild-type human PTP1B (PTPN1) at room temperature (298 K)
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
Deposit date:2024-08-02
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy
Biorxiv, 2024

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