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5C6M
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BU of 5c6m by Molmil
Crystal structure of deoxyribose-phosphate aldolase from Shewanella halifaxensis
Descriptor: CHLORIDE ION, Deoxyribose-phosphate aldolase, SODIUM ION
Authors:Weiergraeber, O.H, Dick, M, Bramski, J, Pietruszka, J.
Deposit date:2015-06-23
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Trading off stability against activity in extremophilic aldolases.
Sci Rep, 6, 2016
1UD3
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BU of 1ud3 by Molmil
Crystal structure of AmyK38 N289H mutant
Descriptor: SODIUM ION, amylase
Authors:Nonaka, T, Fujihashi, M, Kita, A, Hagihara, H, Ozaki, K, Ito, S, Miki, K.
Deposit date:2003-04-28
Release date:2003-07-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of calcium-free alpha-amylase from Bacillus sp. strain KSM-K38 (AmyK38) and its sodium ion binding sites
J.Biol.Chem., 278, 2003
5LD8
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BU of 5ld8 by Molmil
GSK3011724A cocrystallised with Mycobacterium tuberculosis H37Rv KasA
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, SODIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Chung, C.W, Neu, M.
Deposit date:2016-06-23
Release date:2016-09-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Identification of KasA as the cellular target of an anti-tubercular scaffold.
Nat Commun, 7, 2016
5M65
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BU of 5m65 by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenine
Descriptor: 1,2-ETHANEDIOL, ADENINE, Adenosylhomocysteinase, ...
Authors:Manszewski, T, Jaskolski, M.
Deposit date:2016-10-24
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Crystallographic and SAXS studies ofS-adenosyl-l-homocysteine hydrolase fromBradyrhizobium elkanii.
IUCrJ, 4, 2017
5C7G
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BU of 5c7g by Molmil
Crystal Structure of the b1 Domain of Human Neuropilin-1 in complex with a bicine molecule
Descriptor: BICINE, Neuropilin-1, SODIUM ION
Authors:Didierjean, C, Jelsch, C.
Deposit date:2015-06-24
Release date:2016-07-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Design, synthesis and biological evaluation of new peptidomimetic compounds targeting NRP-1 receptor TO BE PUBLISHED
To Be Published
6ZJD
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BU of 6zjd by Molmil
Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ...
Authors:Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
Deposit date:2020-06-28
Release date:2020-09-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3.
Biochemistry, 59, 2020
6U2O
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BU of 6u2o by Molmil
Structure of human DNA polymerase beta misinserting dAMPNPP opposite the 5'G of the cisplatin Pt-GG intrastrand crosslink
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
Authors:Ouzon-Shubeita, H, Vilas, C.K, Lee, S.
Deposit date:2019-08-20
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the Mutagenic Bypass of the Major Cisplatin-DNA Lesion by Human DNA Polymerase Beta Reveal Insights into Cisplatin-Induced Mutagenesis
To Be Published
1O05
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BU of 1o05 by Molmil
Apo form of human mitochondrial aldehyde dehydrogenase
Descriptor: Aldehyde dehydrogenase, SODIUM ION
Authors:Hurley, T.D, Perez-Miller, S, Breen, H.
Deposit date:2003-02-20
Release date:2003-03-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Order and disorder in mitochondrial aldehyde dehydrogenase
Chem.Biol.Interact., 130-132, 2001
6YTT
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BU of 6ytt by Molmil
CO-dehydrogenase/Acetyl-CoA synthase (CODH/ACS) from Clostridium autoethanogenum at 3.0-A resolution
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CO dehydrogenase/acetyl-CoA synthase complex, beta subunit, ...
Authors:Wagner, T, Lemaire, O.N.
Deposit date:2020-04-24
Release date:2020-11-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Gas channel rerouting in a primordial enzyme: Structural insights of the carbon-monoxide dehydrogenase/acetyl-CoA synthase complex from the acetogen Clostridium autoethanogenum.
Biochim Biophys Acta Bioenerg, 1862, 2020
6TX8
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BU of 6tx8 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH IMIDAZOLE
Descriptor: CHLORIDE ION, IMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
5MLS
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BU of 5mls by Molmil
Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(3-chlorobenzyl)pyrrolidine-2-carboxamide
Descriptor: D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Marca, A, Sandner, A, Heine, A, Klebe, G.
Deposit date:2016-12-07
Release date:2017-12-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Thrombin Mutante A190S in complex with (S)-1-((R)-2-amino-3,3-diphenylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide
to be published
1UD5
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BU of 1ud5 by Molmil
Crystal structure of AmyK38 with rubidium ion
Descriptor: RUBIDIUM ION, SODIUM ION, amylase
Authors:Nonaka, T, Fujihashi, M, Kita, A, Hagihara, H, Ozaki, K, Ito, S, Miki, K.
Deposit date:2003-04-28
Release date:2003-07-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of calcium-free alpha-amylase from Bacillus sp. strain KSM-K38 (AmyK38) and its sodium ion binding sites
J.Biol.Chem., 278, 2003
5MBZ
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BU of 5mbz by Molmil
Crystal Structure of Ser202Phe mutant of Human Prolidase with Mn ions and GlyPro ligand
Descriptor: CHLORIDE ION, GLYCEROL, GLYCINE, ...
Authors:Wilk, P, Mueller, U, Dobbek, H, Weiss, M.S.
Deposit date:2016-11-09
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
5MDU
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BU of 5mdu by Molmil
Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe.
Descriptor: CHLORIDE ION, GLYCEROL, Rpb7-binding protein seb1, ...
Authors:Wittmann, S, Renner, M, El Omari, K, Adams, O, Vasiljeva, L, Grimes, J.
Deposit date:2016-11-13
Release date:2017-04-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:The conserved protein Seb1 drives transcription termination by binding RNA polymerase II and nascent RNA.
Nat Commun, 8, 2017
5CM7
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BU of 5cm7 by Molmil
Structure of thiamine-monophosphate kinase from Acinetobacter baumannii in complex with adenosine diphosphate (ADP) and thiamine diphosphate (TPP)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-07-16
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures of thiamine monophosphate kinase from Acinetobacter baumannii in complex with substrates and products.
Sci Rep, 9, 2019
6ZI7
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BU of 6zi7 by Molmil
Crystal structure of OleP-oleandolide(DEO) bound to L-rhamnose
Descriptor: (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, Cytochrome P-450, FORMIC ACID, ...
Authors:Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Freda, I.
Deposit date:2020-06-25
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
6TX5
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BU of 6tx5 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 4-METHYLIMIDAZOLE
Descriptor: 4-METHYLIMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
5C4I
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BU of 5c4i by Molmil
Structure of an Oxalate Oxidoreductase
Descriptor: IRON/SULFUR CLUSTER, MAGNESIUM ION, Oxalate oxidoreductase subunit alpha, ...
Authors:Gibson, M.I, Brignole, E.J, Pierce, E, Can, M, Ragsdale, S.W, Drennan, C.L.
Deposit date:2015-06-18
Release date:2015-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.274 Å)
Cite:The Structure of an Oxalate Oxidoreductase Provides Insight into Microbial 2-Oxoacid Metabolism.
Biochemistry, 54, 2015
6U6B
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BU of 6u6b by Molmil
Structure of human DNA polymerase beta misinserting dAMPNPP opposite the 5'G of the cisplatin Pt-GG intrastrand crosslink with Manganese in the active site
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
Authors:Ouzon-Shubeita, H, Vilas, C.K, Lee, S.
Deposit date:2019-08-29
Release date:2020-09-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.108 Å)
Cite:Structural insights into the promutagenic bypass of the major cisplatin-induced DNA lesion.
Biochem.J., 477, 2020
6TX6
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BU of 6tx6 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH NICOTINAMIDE
Descriptor: CHLORIDE ION, NICOTINAMIDE, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
1NZX
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BU of 1nzx by Molmil
Human mitochondrial aldehyde dehydrogenase complexed with NAD+ in the presence of low Mg2+
Descriptor: Aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
Authors:Perez-Miller, S.J, Hurley, T.D.
Deposit date:2003-02-20
Release date:2003-06-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Coenzyme isomerization is integral to catalysis in aldehyde dehydrogenase
Biochemistry, 42, 2003
5FNK
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BU of 5fnk by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, ACETIC ACID, CARBONIC ANHYDRASE 2, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-11-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5MY7
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BU of 5my7 by Molmil
Adhesin Complex Protein from Neisseria meningitidis
Descriptor: Adhesin, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Derrick, J.P, Awanye, A.
Deposit date:2017-01-25
Release date:2017-06-21
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of the Neisseria Adhesin Complex Protein (ACP) and its role as a novel lysozyme inhibitor.
PLoS Pathog., 13, 2017
6Z81
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BU of 6z81 by Molmil
TsaBD bound to the inhibitor
Descriptor: (2~{S},3~{R})-2-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Missoury, S, Van Tilbeurgh, H.
Deposit date:2020-06-02
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure of a reaction intermediate mimic in t6A biosynthesis bound in the active site of the TsaBD heterodimer from Escherichia coli.
Nucleic Acids Res., 49, 2021
5FJE
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BU of 5fje by Molmil
CU(I)-CSP1 (COPPER STORAGE PROTEIN 1) FROM METHYLOSINUS TRICHOSPORIUM OB3B
Descriptor: COPPER (I) ION, COPPER STORAGE PROTEIN 1, SODIUM ION
Authors:Vita, N, Platsaki, S, Basle, A, Allen, S.J, Paterson, N.G, Crombie, A.T, Murrell, J.C, Waldron, K.J, Dennison, C.
Deposit date:2015-10-07
Release date:2015-11-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Four-Helix Bundle Stores Copper for Methane Oxidation.
Nature, 525, 2015

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