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5Y6E
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BU of 5y6e by Molmil
VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-hydroxyphenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 12)
Descriptor: (2R)-2-(4-hydroxyphenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B.
Deposit date:2017-08-11
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies.
Eur J Med Chem, 145, 2018
5YVP
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BU of 5yvp by Molmil
Crystal structure of an apo form cyclase Filc1 from Fischerella sp. TAU
Descriptor: CALCIUM ION, TETRAETHYLENE GLYCOL, cyclase A
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-11-27
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
5YVK
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BU of 5yvk by Molmil
Crystal structure of a cyclase Famc1 from Fischerella ambigua UTEX 1903
Descriptor: CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium, cyclase
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-11-26
Release date:2018-11-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.292 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
5Z53
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BU of 5z53 by Molmil
Crystal structure of a cyclase Filc from Fischerella sp. in complex with cyclo-L-Arg-D-Pro
Descriptor: 12-epi-hapalindole U synthase, CALCIUM ION, SULFATE ION, ...
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-01-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
5Z54
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BU of 5z54 by Molmil
Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239 in complex with cyclo-L-Arg-D-Pro
Descriptor: 12-epi-hapalindole C/U synthase, CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-01-17
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
5YVL
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BU of 5yvl by Molmil
Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, cyclase
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-11-26
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.059 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
5HCV
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BU of 5hcv by Molmil
Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists
Descriptor: 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one, CHLORIDE ION, Mineralocorticoid receptor
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-01-04
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 24, 2016
6D06
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BU of 6d06 by Molmil
Human ADAR2d E488Y mutant complexed with dsRNA containing an abasic site opposite the edited base
Descriptor: Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*CP*AP*GP*AP*GP*CP*CP*CP*CP*CP*NP*AP*GP*CP*AP*UP*CP*GP*CP*GP*AP*GP*C)-3'), ...
Authors:Matthews, M.M, Fisher, A.J, Beal, P.A.
Deposit date:2018-04-10
Release date:2019-02-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A Bump-Hole Approach for Directed RNA Editing.
Cell Chem Biol, 26, 2019
3PDU
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BU of 3pdu by Molmil
Crystal structure of gamma-hydroxybutyrate dehydrogenase from Geobacter sulfurreducens in complex with NADP+
Descriptor: 3-hydroxyisobutyrate dehydrogenase family protein, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, Y, Garavito, R.M.
Deposit date:2010-10-25
Release date:2012-01-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural characterization of a beta-hydroxyacid dehydrogenase from Geobacter sulfurreducens and Geobacter metallireducens with succinic semialdehyde reductase activity.
Biochimie, 104, 2014
3PEF
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BU of 3pef by Molmil
Crystal structure of gamma-hydroxybutyrate dehydrogenase from Geobacter metallireducens in complex with NADP+
Descriptor: 1,2-ETHANEDIOL, 6-phosphogluconate dehydrogenase, NAD-binding, ...
Authors:Zhang, Y, Garavito, R.M.
Deposit date:2010-10-26
Release date:2011-12-07
Last modified:2016-06-01
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural characterization of a beta-hydroxyacid dehydrogenase from Geobacter sulfurreducens and Geobacter metallireducens with succinic semialdehyde reductase activity.
Biochimie, 104, 2014
5GQQ
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BU of 5gqq by Molmil
Structure of ALG-2/HEBP2 Complex
Descriptor: CALCIUM ION, CHLORIDE ION, Heme-binding protein 2, ...
Authors:Liu, X, Ma, J, Zhang, H, Feng, Y.
Deposit date:2016-08-08
Release date:2016-11-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Functional Study of Apoptosis-linked Gene-2Heme-binding Protein 2 Interactions in HIV-1 Production.
J. Biol. Chem., 291, 2016
2H35
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BU of 2h35 by Molmil
Solution structure of Human normal adult hemoglobin
Descriptor: Hemoglobin alpha subunit, Hemoglobin beta subunit, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fan, J.S, Yang, D.
Deposit date:2006-05-22
Release date:2006-11-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:A new strategy for structure determination of large proteins in solution without deuteration
Nat.Methods, 3, 2006
8DPX
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BU of 8dpx by Molmil
Preligand association structure of DR5
Descriptor: Tumor necrosis factor receptor superfamily member 10B
Authors:Du, G, Zhao, L, Chou, J.J.
Deposit date:2022-07-17
Release date:2023-02-15
Method:SOLUTION NMR
Cite:Autoinhibitory structure of preligand association state implicates a new strategy to attain effective DR5 receptor activation.
Cell Res., 33, 2023
5XXY
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BU of 5xxy by Molmil
Crystal structure of PD-L1 complexed with atezolizumab fab at 2.9A
Descriptor: Programmed cell death 1 ligand 1, heavy chain of atezolizumab fab, light chain of atezolizumab fab
Authors:Zhou, A, Zhang, F.
Deposit date:2017-07-05
Release date:2017-09-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of the therapeutic anti-PD-L1 antibody atezolizumab.
Oncotarget, 8, 2017
5IO1
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BU of 5io1 by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN Z ALPHA-1-ANTITRYPSIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1-antitrypsin
Authors:Zhou, A.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Molecular Mechanism of Z alpha 1-Antitrypsin Deficiency
J. Biol. Chem., 291, 2016
4R1D
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BU of 4r1d by Molmil
The crystal structure of Tle4-Tli4 complex
Descriptor: CALCIUM ION, Uncharacterized protein
Authors:Lu, D.
Deposit date:2014-08-05
Release date:2014-12-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:The structural basis of the Tle4-Tli4 complex reveals the self-protection mechanism of H2-T6SS in Pseudomonas aeruginosa.
Acta Crystallogr.,Sect.D, 70, 2014
2L8L
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BU of 2l8l by Molmil
Structure of an engineered splicing intein mutant based on Mycobacterium tuberculosis RecA
Descriptor: Endonuclease PI-MtuI
Authors:Du, Z, Wang, C.
Deposit date:2011-01-19
Release date:2012-01-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:pK(a) coupling at the intein active site: implications for the coordination mechanism of protein splicing with a conserved aspartate.
J.Am.Chem.Soc., 133, 2011
4OC8
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BU of 4oc8 by Molmil
DNA modification-dependent restriction endonuclease AspBHI
Descriptor: PHOSPHATE ION, restriction endonuclease AspBHI
Authors:Horton, J.R.
Deposit date:2014-01-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.884 Å)
Cite:Structure and mutagenesis of the DNA modification-dependent restriction endonuclease AspBHI.
Sci Rep, 4, 2014
3TGE
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BU of 3tge by Molmil
A novel series of potent and selective PDE5 inhibitor1
Descriptor: 7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Han, S.
Deposit date:2011-08-17
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Investigation of the pyrazinones as PDE5 inhibitors: Evaluation of regioisomeric projections into the solvent region.
Bioorg.Med.Chem.Lett., 21, 2011
3TGG
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BU of 3tgg by Molmil
A novel series of potent and selective PDE5 inhibitor2
Descriptor: 7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Han, S.
Deposit date:2011-08-17
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Investigation of the pyrazinones as PDE5 inhibitors: evaluation of regioisomeric projections into the solvent region.
Bioorg.Med.Chem.Lett., 21, 2011
4PBB
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BU of 4pbb by Molmil
The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI
Descriptor: SULFATE ION, Uncharacterized protein AbaSI
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-04-11
Release date:2014-06-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA.
Nucleic Acids Res., 42, 2014
4PBA
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BU of 4pba by Molmil
The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI in a Complex with Substrate-like DNA
Descriptor: DNA (32-MER), Uncharacterized protein AbaSI
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-04-11
Release date:2014-06-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA.
Nucleic Acids Res., 42, 2014
3WCA
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BU of 3wca by Molmil
The complex structure of TcSQS with ligand, FSPP
Descriptor: Farnesyltransferase, putative, MAGNESIUM ION, ...
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Oldfield, E, Guo, R.T.
Deposit date:2013-05-26
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3L15
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BU of 3l15 by Molmil
Human Tead2 transcriptional factor
Descriptor: GLYCEROL, Transcriptional enhancer factor TEF-4
Authors:Tomchick, D.R, Luo, X, Tian, W.
Deposit date:2009-12-10
Release date:2010-04-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the YAP-binding domain of human TEAD2.
Proc.Natl.Acad.Sci.USA, 107, 2010
5KL6
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BU of 5kl6 by Molmil
Wilms Tumor Protein (WT1) Q369R ZnF2-4 in complex with DNA
Descriptor: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*GP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*CP*CP*CP*CP*AP*CP*GP*C)-3'), Wilms tumor protein, ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2016-06-23
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016

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PDB entries from 2024-09-11

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