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6NTU
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BU of 6ntu by Molmil
Crystal Structure of human PARP-1 ART domain bound to inhibitor UKTT-15
Descriptor: DIMETHYL SULFOXIDE, PENTAETHYLENE GLYCOL, Poly [ADP-ribose] polymerase 1, ...
Authors:Langelier, M.F, Pascal, J.M.
Deposit date:2019-01-30
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for allosteric PARP-1 retention on DNA breaks.
Science, 368, 2020
4HSJ
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BU of 4hsj by Molmil
1.88 angstrom x-ray crystal structure of piconlinic-bound 3-hydroxyanthranilate-3,4-dioxygenase
Descriptor: 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, PYRIDINE-2-CARBOXYLIC ACID
Authors:Liu, F, Chen, L, Davis, C.I, Liu, A.
Deposit date:2012-10-30
Release date:2015-05-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.883 Å)
Cite:An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE.
J.Biol.Chem., 290, 2015
5OMX
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BU of 5omx by Molmil
X-ray Structure of the H2A-N38C Nucleosome Core Particle
Descriptor: CHLORIDE ION, DNA (147-MER), Histone H2A, ...
Authors:Frouws, T.D, Richmond, T.J.
Deposit date:2017-08-02
Release date:2017-11-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Site-Specific Disulfide Crosslinked Nucleosomes with Enhanced Stability.
J. Mol. Biol., 430, 2018
5KSI
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BU of 5ksi by Molmil
Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate
Descriptor: (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ...
Authors:Ahmed, M.H, Safo, M.K, Xia, Y.
Deposit date:2016-07-08
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
4HUF
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BU of 4huf by Molmil
Structure of 5-chlorouracil modified A:U base pair
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*(UCL)P*TP*CP*GP*CP*G)-3'), GLYCEROL, ...
Authors:Patra, A, Egli, M.
Deposit date:2012-11-02
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure, stability and function of 5-chlorouracil modified A:U and G:U base pairs.
Nucleic Acids Res., 41, 2013
5AE4
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BU of 5ae4 by Molmil
Structures of inactive and activated DntR provide conclusive evidence for the mechanism of action of LysR transcription factors
Descriptor: LYSR-TYPE REGULATORY PROTEIN, THIOCYANATE ION
Authors:Lerche, M, Dian, C, Round, A, Lonneborg, R, Brzezinski, P, Leonard, G.A.
Deposit date:2015-08-25
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The Solution Configurations of Inactive and Activated Dntr Have Implications for the Sliding Dimer Mechanism of Lysr Transcription Factors.
Sci.Rep., 6, 2016
6NMJ
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BU of 6nmj by Molmil
Crystal Structure of Rat Ric-8A G alpha binding domain, "Paratone-N Immersed"
Descriptor: Resistance to inhibitors of cholinesterase 8 homolog A (C. elegans)
Authors:Zeng, B, Mou, T.C, Sprang, S.R.
Deposit date:2019-01-11
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure, Function, and Dynamics of the G alpha Binding Domain of Ric-8A.
Structure, 27, 2019
7ZSX
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BU of 7zsx by Molmil
F32V Cytochrome c prime beta from Methylococcus capsulatus (Bath): CO Complex
Descriptor: CARBON MONOXIDE, Cytochrome c, GLYCEROL, ...
Authors:Adams, H.R, Hough, M.A.
Deposit date:2022-05-09
Release date:2023-05-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A heme pocket aromatic quadrupole modulates gas binding to cytochrome c'-beta : Implications for NO sensors.
J.Biol.Chem., 299, 2023
5F64
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BU of 5f64 by Molmil
Putative positive transcription regulator (sensor EvgS) from Shigella flexneri
Descriptor: Positive transcription regulator EvgA
Authors:Nocek, B, Osipiuk, J, Mulligan, R, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-05
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Putative positive transcription regulator (sensor EvgS) from Shigella flexneri.
to be published
4HWW
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BU of 4hww by Molmil
Crystal structure of human Arginase-1 complexed with inhibitor 9
Descriptor: Arginase-1, MANGANESE (II) ION, [(5R)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A.
Deposit date:2012-11-09
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
5A7X
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BU of 5a7x by Molmil
negative stain EM of BG505 SOSIP.664 in complex with sCD4, 17b, and 8ANC195
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB OF BROADLY NEUTRALIZING ANTIBODY 17B, FAB OF BROADLY NEUTRALIZING ANTIBODY 8ANC195, ...
Authors:Scharf, L, Wang, H, Gao, H, Chen, S, McDowall, A, Bjorkman, P.
Deposit date:2015-07-10
Release date:2015-08-05
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (17 Å)
Cite:Broadly Neutralizing Antibody 8Anc195 Recognizes Closed and Open States of HIV-1 Env.
Cell(Cambridge,Mass.), 162, 2015
5L1V
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BU of 5l1v by Molmil
X-ray Structure of M81C mutant of Cytochrome P450 PntM with pentalenolactone F
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
4HX8
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BU of 4hx8 by Molmil
Structure of metal-free MNTR mutant E11K
Descriptor: Transcriptional regulator MntR
Authors:Glasfeld, A, Mcguire, A.
Deposit date:2012-11-09
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Roles of the A and C Sites in the Manganese-Specific Activation of MntR.
Biochemistry, 52, 2013
5F29
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BU of 5f29 by Molmil
Structure of RCK domain with cda
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Na+/H+ antiporter-like protein
Authors:Chin, K.H.
Deposit date:2015-12-01
Release date:2017-02-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.821 Å)
Cite:Structural Insights into the Distinct Binding Mode of Cyclic Di-AMP with SaCpaA_RCK.
Biochemistry, 54, 2015
6KW1
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BU of 6kw1 by Molmil
The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide 1b
Descriptor: 2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid, ACETATE ION, Beta-lactamase class B VIM-2, ...
Authors:Yang, K.W, Xiang, Y.
Deposit date:2019-09-05
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.775212 Å)
Cite:Kinetic, Thermodynamic, and Crystallographic Studies of 2-Triazolylthioacetamides as Verona Integron-Encoded Metallo-beta-Lactamase 2 (VIM-2) Inhibitor.
Biomolecules, 10, 2020
5IRG
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BU of 5irg by Molmil
Reverse transcriptase domain of group II intron maturase from Roseburia intestinalis in P212121 space group
Descriptor: POTASSIUM ION, Retron-type reverse transcriptase
Authors:Zhao, C, Pyle, A.M.
Deposit date:2016-03-13
Release date:2016-05-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of a group II intron maturase reveal a missing link in spliceosome evolution.
Nat.Struct.Mol.Biol., 23, 2016
5F2Z
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BU of 5f2z by Molmil
Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P21 space group
Descriptor: PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase
Authors:Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E.
Deposit date:2015-12-02
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
5L25
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BU of 5l25 by Molmil
Crystal Structure of Arabidopsis thaliana Bor1
Descriptor: Boron transporter 1
Authors:Thurtle-Schmidt, B.H, Stroud, R.M.
Deposit date:2016-07-31
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.11 Å)
Cite:Structure of Bor1 supports an elevator transport mechanism for SLC4 anion exchangers.
Proc.Natl.Acad.Sci.USA, 113, 2016
4HXX
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BU of 4hxx by Molmil
Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1
Descriptor: (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ...
Authors:Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1.
Bioorg.Med.Chem., 21, 2013
6NN9
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BU of 6nn9 by Molmil
REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ...
Authors:Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M.
Deposit date:1991-03-28
Release date:1992-07-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants.
J.Mol.Biol., 221, 1991
6L07
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BU of 6l07 by Molmil
Crystal structure of Escherichia coli phosphatidylserine decarboxylase (PE-bound form)
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Phosphatidylserine decarboxylase alpha chain, Phosphatidylserine decarboxylase beta chain
Authors:Watanabe, Y, Watanabe, S.
Deposit date:2019-09-26
Release date:2020-04-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural Basis for Phosphatidylethanolamine Biosynthesis by Bacterial Phosphatidylserine Decarboxylase.
Structure, 28, 2020
7VKT
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BU of 7vkt by Molmil
cryo-EM structure of LTB4-bound BLT1 in complex with Gi protein
Descriptor: CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:He, Y, Wang, N.
Deposit date:2021-10-01
Release date:2022-03-09
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of leukotriene B4 receptor 1 activation.
Nat Commun, 13, 2022
7ZRX
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BU of 7zrx by Molmil
F61V Cytochrome c prime beta from Methylococcus capsulatus (Bath) Chemically Reduced Ferrous State
Descriptor: Cytochrome c, GLYCEROL, HEME C, ...
Authors:Adams, H.R, Hough, M.A.
Deposit date:2022-05-05
Release date:2023-05-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A heme pocket aromatic quadrupole modulates gas binding to cytochrome c'-beta : Implications for NO sensors.
J.Biol.Chem., 299, 2023
6NY0
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BU of 6ny0 by Molmil
Crystal structure of trimethoprim-resistant type II dihydrofolate reductase in complex with a bisbenzimidazole inhibitor
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(4-{3-[4-(6-carboxy-1H-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1H-benzimidazole-5-carboxylic acid, Dihydrofolate reductase type 2, ...
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2019-02-10
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of Dimeric Bisbenzimidazole Inhibitors to an Emergent Trimethoprim-Resistant Type II Dihydrofolate Reductase Guides the Design of Monomeric Analogues.
Acs Omega, 4, 2019

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