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7Z9C
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BU of 7z9c by Molmil
E.coli gyrase holocomplex with 217 bp DNA and albicidin
Descriptor: DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), DNA (5'-D(P*AP*AP*AP*TP*CP*TP*GP*TP*GP*CP*GP*GP*GP*T)-3'), ...
Authors:Ghilarov, D, Heddle, J.G.H, Suessmuth, R.
Deposit date:2022-03-21
Release date:2023-02-15
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin.
Nat Catal, 6, 2023
6GO3
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TdT chimera (Loop1 of pol mu) - apoenzyme
Descriptor: DNA nucleotidylexotransferase,DNA-directed DNA/RNA polymerase mu,DNA nucleotidylexotransferase
Authors:Loc'h, J, Gerodimos, C.A, Rosario, S, Lieber, M.R, Delarue, M.
Deposit date:2018-06-01
Release date:2019-06-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural evidence for an intransbase selection mechanism involving Loop1 in polymerase mu at an NHEJ double-strand break junction.
J.Biol.Chem., 294, 2019
3ZZJ
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BU of 3zzj by Molmil
Structure of an engineered aspartate aminotransferase
Descriptor: ASPARTATE AMINOTRANSFERASE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Fernandez, F.J, deVries, D, Pena-Soler, E, Coll, M, Christen, P, Gehring, H, Vega, M.C.
Deposit date:2011-09-01
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Mechanism of a Cysteine Sulfinate Desulfinase Engineered on the Aspartate Aminotransferase Scaffold.
Biocim.Biophys.Acta, 1824, 2011
5IG8
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BU of 5ig8 by Molmil
Crystal structure of macrocyclase MdnB from Microcystis aeruginosa MRC
Descriptor: ATP grasp ligase
Authors:Li, K, Condurso, H.L, Bruner, S.D.
Deposit date:2016-02-27
Release date:2016-09-21
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:Structural basis for precursor protein-directed ribosomal peptide macrocyclization.
Nat.Chem.Biol., 12, 2016
4GXR
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BU of 4gxr by Molmil
Structure of ATP bound RpMatB-BxBclM chimera B3
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, GLYCEROL, ...
Authors:Rank, K.C, Crosby, H.A, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2012-09-04
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into the Substrate Specificity of the Rhodopseudomonas palustris Protein Acetyltransferase RpPat: IDENTIFICATION OF A LOOP CRITICAL FOR RECOGNITION BY RpPat.
J.Biol.Chem., 287, 2012
2ZO0
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BU of 2zo0 by Molmil
mouse NP95 SRA domain DNA specific complex 1
Descriptor: DNA (5'-D(*DGP*DTP*DCP*DAP*DGP*(5CM)P*DGP*DCP*DAP*DAP*DTP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DAP*DTP*DGP*DCP*DGP*DCP*DTP*DGP*DAP*DC)-3'), E3 ubiquitin-protein ligase UHRF1
Authors:Hashimoto, H, Horton, J.R, Cheng, X.
Deposit date:2008-05-05
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
4HCN
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BU of 4hcn by Molmil
Crystal structure of Burkholderia pseudomallei effector protein CHBP in complex with ubiquitin
Descriptor: DI(HYDROXYETHYL)ETHER, FORMIC ACID, PHOSPHATE ION, ...
Authors:Yao, Q, Cui, J, Zhu, Y, Shao, F.
Deposit date:2012-09-30
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural mechanism of ubiquitin and NEDD8 deamidation catalyzed by bacterial effectors that induce macrophage-specific apoptosis.
Proc.Natl.Acad.Sci.USA, 109, 2012
7Z9K
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BU of 7z9k by Molmil
E.coli gyrase holocomplex with 217 bp DNA and Albi-1 (site TG)
Descriptor: 4-[[4-[[5-[[(2S)-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1H-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ...
Authors:Ghilarov, D, Heddle, J.G.H.
Deposit date:2022-03-21
Release date:2023-03-08
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin.
Nat Catal, 6, 2023
2VDN
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BU of 2vdn by Molmil
Re-refinement of Integrin AlphaIIbBeta3 Headpiece Bound to Antagonist Eptifibatide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, EPTIFIBATIDE, ...
Authors:Springer, T.A, Zhu, J, Xiao, T.
Deposit date:2007-10-10
Release date:2008-09-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis for Distinctive Recognition of Fibrinogen Gammac Peptide by the Platelet Integrin Alphaiibbeta3.
J.Cell Biol., 182, 2008
6GO4
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BU of 6go4 by Molmil
TdT chimera (Loop1 of pol mu) - binary complex with ddCTP
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA nucleotidylexotransferase,DNA-directed DNA/RNA polymerase mu,DNA nucleotidylexotransferase, MAGNESIUM ION, ...
Authors:Loc'h, J, Gerodimos, C.A, Rosario, S, Lieber, M.R, Delarue, M.
Deposit date:2018-06-01
Release date:2019-06-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural evidence for an intransbase selection mechanism involving Loop1 in polymerase mu at an NHEJ double-strand break junction.
J.Biol.Chem., 294, 2019
1RZC
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BU of 1rzc by Molmil
X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES
Descriptor: CARBONIC ANHYDRASE II, COPPER (II) ION, OXYGEN MOLECULE
Authors:Hakansson, K, Wehnert, A, Liljas, A.
Deposit date:1993-05-25
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray analysis of metal-substituted human carbonic anhydrase II derivatives.
Acta Crystallogr.,Sect.D, 50, 1994
4GXQ
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BU of 4gxq by Molmil
Crystal Structure of ATP bound RpMatB-BxBclM chimera B1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ...
Authors:Rank, K.C, Crosby, H.A, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2012-09-04
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into the Substrate Specificity of the Rhodopseudomonas palustris Protein Acetyltransferase RpPat: IDENTIFICATION OF A LOOP CRITICAL FOR RECOGNITION BY RpPat.
J.Biol.Chem., 287, 2012
3ZFY
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BU of 3zfy by Molmil
Crystal structure of EphB3
Descriptor: EPHRIN TYPE-B RECEPTOR 3
Authors:Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
Deposit date:2012-12-12
Release date:2014-01-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
3ZI6
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BU of 3zi6 by Molmil
Structure of thermolysin solved by SAD from data collected by Direct Data Collection (DDC) using the GRob robot goniometer
Descriptor: CALCIUM ION, LYSINE, THERMOLYSIN, ...
Authors:Bowler, M.W.
Deposit date:2013-01-04
Release date:2013-05-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recent Progress in Robot-Based Systems for Crystallography and Their Contribution to Drug Discovery.
Expert Opin.Drug Discov., 8, 2013
7LUP
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BU of 7lup by Molmil
Human TRiC/CCT complex with reovirus outer capsid protein sigma-3
Descriptor: Outer capsid protein sigma-3, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ...
Authors:Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S.
Deposit date:2021-02-22
Release date:2021-03-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LUM
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BU of 7lum by Molmil
Human TRiC in ATP/AlFx closed state
Descriptor: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
Authors:Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S.
Deposit date:2021-02-22
Release date:2021-03-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network.
Proc.Natl.Acad.Sci.USA, 118, 2021
5A7P
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BU of 5a7p by Molmil
Crystal structure of human JMJD2A in complex with compound 36
Descriptor: 1,2-ETHANEDIOL, 2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
3MAZ
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BU of 3maz by Molmil
Crystal Structure of the Human BRDG1/STAP-1 SH2 Domain in Complex with the NTAL pTyr136 Peptide
Descriptor: CheD family protein, MALONATE ION, Signal-transducing adaptor protein 1
Authors:Kaneko, T, Huang, H, Zhao, B, Li, L, Liu, H, Voss, C.K, Wu, C, Schiller, M.R, Li, S.S.
Deposit date:2010-03-24
Release date:2010-05-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Loops govern SH2 domain specificity by controlling access to binding pockets.
Sci.Signal., 3, 2010
2RMG
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BU of 2rmg by Molmil
Human Urocortin 2
Descriptor: Urocortin-2
Authors:Grace, C.R.R, Perrin, M.H, Cantle, J.P, Vale, W.W, Rivier, J.E, Riek, R.
Deposit date:2007-10-16
Release date:2008-01-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Common and divergent structural features of a series of corticotropin releasing factor-related peptides
J.Am.Chem.Soc., 129, 2007
3MDC
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BU of 3mdc by Molmil
DNA polymerase lambda in complex with dFdCTP
Descriptor: 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*GP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Garcia-Diaz, M, Murray, M, Kunkel, T, Chou, K.M.
Deposit date:2010-03-30
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Interaction between DNA Polymerase lambda and anticancer nucleoside analogs.
J.Biol.Chem., 285, 2010
2GV0
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BU of 2gv0 by Molmil
The structure of the orthorhombic form of soft-shelled turtle lysozyme at 1.9 angstroms resolution
Descriptor: Lysozyme C, SULFATE ION
Authors:Siritapetawee, J, Thammasirirak, S, Yuvaniyama, J, Robinson, R.C.
Deposit date:2006-05-02
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallization and the 1.9 angstroms of the egg-white lysozyme from a taiwanese soft-shelled turtle (trionyx sinensis wiegmann)
to be published
7ZC9
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BU of 7zc9 by Molmil
Human Pikachurin/EGFLAM C-terminal Laminin-G domain (LG3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pikachurin, SULFATE ION
Authors:Pantalone, S, Forneris, F.
Deposit date:2022-03-26
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the photoreceptor synaptic assembly of the extracellular matrix protein pikachurin with the orphan receptor GPR179.
Sci.Signal., 16, 2023
7ZCB
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BU of 7zcb by Molmil
Human Pikachurin/EGFLAM N-terminal Fibronectin-III (1-2) domains
Descriptor: CHLORIDE ION, Pikachurin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Pantalone, S, Savino, S, Viti, L.V, Forneris, F.
Deposit date:2022-03-26
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the photoreceptor synaptic assembly of the extracellular matrix protein pikachurin with the orphan receptor GPR179.
Sci.Signal., 16, 2023
4E83
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BU of 4e83 by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Leu29NLe mutant)
Descriptor: CHLORIDE ION, Defensin-5
Authors:Pazgier, M.
Deposit date:2012-03-19
Release date:2012-05-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012
3MXF
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BU of 3mxf by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JQ1
Descriptor: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-05-07
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Selective inhibition of BET bromodomains.
Nature, 468, 2010

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