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2RDJ
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BU of 2rdj by Molmil
Snapshots of a Y-family DNA polymerase in replication: Dpo4 in apo and binary/ternary complex forms
Descriptor: CALCIUM ION, DNA (5'-D(*DGP*DGP*DGP*DAP*DCP*DCP*DCP*DTP*DTP*DCP*DGP*DAP*DAP*DT)-3'), DNA (5'-D(P*DTP*DAP*DTP*DTP*DCP*DGP*DAP*DAP*DGP*DGP*DGP*DTP*DCP*DCP*DC)-3'), ...
Authors:Wong, J.H.Y, Ling, H.
Deposit date:2007-09-24
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Snapshots of a Y-family DNA polymerase in replication: substrate-induced conformational transitions and implications for fidelity of Dpo4.
J.Mol.Biol., 379, 2008
3PF0
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BU of 3pf0 by Molmil
Crystal structure of an Imelysin-like protein (Psyc_1802) from PSYCHROBACTER ARCTICUM 273-4 at 2.15 A resolution
Descriptor: Imelysin-like protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-10-27
Release date:2010-11-10
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of an Imelysin-like protein (Psyc_1802) from PSYCHROBACTER ARCTICUM 273-4 at 2.15 A resolution
To be published
4DZW
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BU of 4dzw by Molmil
Crystal Structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Aripirala, S, Amzel, L.M, Gabelli, S.B.
Deposit date:2012-03-01
Release date:2013-01-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
2RF1
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BU of 2rf1 by Molmil
Crystal structure of ChoX in an unliganded closed conformation
Descriptor: PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN
Authors:Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E.
Deposit date:2007-09-27
Release date:2008-09-16
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states.
J.Biol.Chem., 283, 2008
2RH5
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BU of 2rh5 by Molmil
Structure of Apo Adenylate Kinase from Aquifex Aeolicus
Descriptor: Adenylate kinase
Authors:Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D.
Deposit date:2007-10-05
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Intrinsic motions along an enzymatic reaction trajectory.
Nature, 450, 2007
4E0L
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BU of 4e0l by Molmil
FYLLYYT segment from human Beta 2 Microglobulin (62-68) displayed on 54-membered macrocycle scaffold
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide FYLLYYT(ORN)KN(HAO)SA(ORN)
Authors:Zhao, M, Liu, C, Michael, S.R, Eisenberg, D.
Deposit date:2012-03-04
Release date:2012-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
3PF4
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BU of 3pf4 by Molmil
Crystal structure of Bs-CspB in complex with r(GUCUUUA)
Descriptor: Cold shock protein cspB, MAGNESIUM ION, SODIUM ION, ...
Authors:Sachs, R, Max, K.E.A, Heinemann, U.
Deposit date:2010-10-27
Release date:2011-09-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:RNA single strands bind to a conserved surface of the major cold shock protein in crystals and solution.
Rna, 18, 2012
4DE0
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BU of 4de0 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 16
Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
Authors:Nichols, D.N, Chen, Y.
Deposit date:2012-01-19
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
2RIH
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BU of 2rih by Molmil
CBS domain protein PAE2072 from Pyrobaculum aerophilum
Descriptor: ACETIC ACID, Conserved protein with 2 CBS domains, SULFATE ION
Authors:Lee, T.M, King, N.P, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2007-10-10
Release date:2008-06-17
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures and Functional Implications of an AMP-Binding Cystathionine beta-Synthase Domain Protein from a Hyperthermophilic Archaeon
J.Mol.Biol., 380, 2008
2I61
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BU of 2i61 by Molmil
Depressant anti-insect neurotoxin, LqhIT2 from Leiurus quinquestriatus hebraeus
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CARBON DIOXIDE, ...
Authors:Frolow, F, Gurevitz, M, Karbat, I, Turkov, M, Gordon, D.
Deposit date:2006-08-27
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:X-ray Structure and Mutagenesis of the Scorpion Depressant Toxin LqhIT2 Reveals Key Determinants Crucial for Activity and Anti-Insect Selectivity.
J.Mol.Biol., 366, 2007
4E3J
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BU of 4e3j by Molmil
Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl benzene sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7999 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
3PLC
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BU of 3plc by Molmil
Crystal structure of Beta-Cardiotoxin, a novel three-finger cardiotoxin from the venom of Ophiophagus hannah
Descriptor: Beta-cardiotoxin OH-27
Authors:Roy, A, Qingxiang, S, Kini, R.M, Sivaraman, J.
Deposit date:2010-11-15
Release date:2011-11-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Identification of a alpha-helical molten globule intermediate and structural characterization of beta-cardiotoxin, an all beta-sheet protein isolated from the venom of Ophiophagus hannah (king cobra).
Protein Sci., 28, 2019
4E3X
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BU of 4e3x by Molmil
Crystal Structure of Mus musculus 1-pyrroline-5-carboxylate dehydrogenase cryoprotected in proline
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE, Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, ...
Authors:Tanner, J.J, Pemberton, T.A.
Deposit date:2012-03-10
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Proline: Mother Nature's cryoprotectant applied to protein crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
2RJ1
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BU of 2rj1 by Molmil
B-specific alpha-1,3-galactosyltransferase (GTB) G176R mutant + UDP + H-antigen disaccharide
Descriptor: GLYCEROL, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, ...
Authors:Evans, S.V, Alfaro, J.A.
Deposit date:2007-10-14
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
2I6Q
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BU of 2i6q by Molmil
Complement component C2a
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C2a fragment, ...
Authors:Milder, F.J, Raaijmakers, H.C.A, Vandeputte, D.A.A, Schouten, A, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P.
Deposit date:2006-08-29
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of complement component c2a: implications for convertase formation and substrate binding.
Structure, 14, 2006
4DEF
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BU of 4def by Molmil
Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis
Descriptor: ACETATE ION, Fructose-bisphosphate aldolase, SODIUM ION, ...
Authors:Capodagli, G.C, Pegan, S.D.
Deposit date:2012-01-20
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
2RJH
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BU of 2rjh by Molmil
Crystal structure of biosynthetic alaine racemase in D-cycloserine-bound form from Escherichia coli
Descriptor: Alanine racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, SULFATE ION
Authors:Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-10-15
Release date:2008-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
3PKV
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BU of 3pkv by Molmil
Crystal Structure of Toxoflavin Lyase (TflA)
Descriptor: Toxoflavin lyase (TflA)
Authors:Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E.
Deposit date:2010-11-12
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Toxoflavin lyase requires a novel 1-his-2-carboxylate facial triad .
Biochemistry, 50, 2011
3PW1
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BU of 3pw1 by Molmil
The Phenylacetyl-CoA monooxygenase PaaAC subcomplex with phenylacetyl-CoA
Descriptor: GLYCEROL, Phenylacetic acid degradation protein paaA, Phenylacetic acid degradation protein paaC, ...
Authors:Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2010-12-07
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and Functional Studies of the Escherichia coli Phenylacetyl-CoA Monooxygenase Complex.
J.Biol.Chem., 286, 2011
3Q25
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BU of 3q25 by Molmil
Crystal structure of human alpha-synuclein (1-19) fused to maltose binding protein (MBP)
Descriptor: GLYCEROL, Maltose-binding periplasmic protein/alpha-synuclein chimeric protein, SULFATE ION, ...
Authors:Zhao, M, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2010-12-19
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of segments of alpha-synuclein fused to maltose-binding protein suggest intermediate states during amyloid formation
Protein Sci., 20, 2011
4DAY
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BU of 4day by Molmil
Crystal structure of the RMI core complex with MM2 peptide from FANCM
Descriptor: Fanconi anemia group M protein, RecQ-mediated genome instability protein 1, RecQ-mediated genome instability protein 2
Authors:Hoadley, K.A, Keck, J.L.
Deposit date:2012-01-13
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Defining the molecular interface that connects the Fanconi anemia protein FANCM to the Bloom syndrome dissolvasome.
Proc.Natl.Acad.Sci.USA, 109, 2012
3PX9
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BU of 3px9 by Molmil
RTA in complex with N-(furanylmethyl)-7-carbamoyl-pterin
Descriptor: 2-amino-N-(furan-2-ylmethyl)-4-oxo-3,4-dihydropteridine-7-carboxamide, Preproricin
Authors:Jasheway, K.R, Robertus, J.D.
Deposit date:2010-12-09
Release date:2011-06-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:7-Substituted pterins provide a new direction for ricin A chain inhibitors.
Eur.J.Med.Chem., 46, 2011
3Q2E
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BU of 3q2e by Molmil
Crystal structure of the second bromodomain of human bromodomain and WD repeat-containing protein 1 isoform A (WDR9)
Descriptor: ACETATE ION, Bromodomain and WD repeat-containing protein 1
Authors:Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Krojer, T, Muniz, J, Gileadi, O, Von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-12-20
Release date:2011-02-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
2RKE
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BU of 2rke by Molmil
The Structure of rat cytosolic PEPCK in complex with sulfoacetate.
Descriptor: MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, cytosolic [GTP], ...
Authors:Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T.
Deposit date:2007-10-16
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Biochemistry, 47, 2008
4DG1
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BU of 4dg1 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with polymorphism mutation K172A and K173A
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Tu, X, Kirby, K.A, Marchand, B, Sarafianos, S.G.
Deposit date:2012-01-24
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:HIV-1 Reverse Transcriptase (RT) Polymorphism 172K Suppresses the Effect of Clinically Relevant Drug Resistance Mutations to Both Nucleoside and Non-nucleoside RT Inhibitors.
J.Biol.Chem., 287, 2012

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