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4Z32
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BU of 4z32 by Molmil
Crystal Structure of the FERM-SH2 Domains of Jak2
Descriptor: Tyrosine-protein kinase JAK2
Authors:McNally, R, Eck, M.J.
Deposit date:2015-03-30
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Crystal Structure of the FERM-SH2 Module of Human Jak2.
Plos One, 11, 2016
2V5A
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BU of 2v5a by Molmil
CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 3
Descriptor: 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-10-02
Release date:2009-01-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
3EN1
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BU of 3en1 by Molmil
Crystal structure of Toluene 2,3-Dioxygenase
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Benzene 1,2-dioxygenase subunit alpha, Benzene 1,2-dioxygenase subunit beta, ...
Authors:Friemann, R, Lee, K, Brown, E.N, Gibson, D.T, Eklund, H, Ramaswamy, S.
Deposit date:2008-09-25
Release date:2009-03-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of the multicomponent Rieske non-heme iron toluene 2,3-dioxygenase enzyme system
Acta Crystallogr.,Sect.D, 65, 2009
4K8M
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BU of 4k8m by Molmil
High resolution structure of M.tb NRDH
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Phulera, S, Mande, S.C.
Deposit date:2013-04-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (0.87 Å)
Cite:The crystal structure of Mycobacterium tuberculosis NrdH at 0.87 angstrom suggests a possible mode of its activity.
Biochemistry, 52, 2013
4Z2U
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BU of 4z2u by Molmil
Crystal Structure of 2-hydroxybiphenyl 3-monooxygenase R242Q from Pseudomonas azelaica
Descriptor: 2-hydroxybiphenyl-3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kanteev, M, Bregman-Cohen, A, Fishman, A.
Deposit date:2015-03-30
Release date:2015-08-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A crystal structure of 2-hydroxybiphenyl 3-monooxygenase with bound substrate provides insights into the enzymatic mechanism.
Biochim.Biophys.Acta, 1854, 2015
4Z3B
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BU of 4z3b by Molmil
Crystal structure of MnCO/apo-R52CFr
Descriptor: CADMIUM ION, Ferritin light chain, GLYCEROL, ...
Authors:Fujita, K, Tanaka, Y, Abe, S, Ueno, T.
Deposit date:2015-03-31
Release date:2015-10-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A Photoactive Carbon-Monoxide-Releasing Protein Cage for Dose-Regulated Delivery in Living Cells
Angew.Chem.Int.Ed.Engl., 55, 2016
4K20
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BU of 4k20 by Molmil
Crystal structure of Canavalia boliviana lectin
Descriptor: CALCIUM ION, Canavalia boliviana lectin, MANGANESE (II) ION
Authors:Viertlmayr, R, Bezerra, G.A, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K.
Deposit date:2013-04-07
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014
4Z3K
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BU of 4z3k by Molmil
Human sepiapterin reductase in complex with the cofactor NADP+ and the trypthophan metabolite xanthurenic acid
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Johnsson, K.
Deposit date:2015-03-31
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Tetrahydrobiopterin Biosynthesis as a Potential Target of the Kynurenine Pathway Metabolite Xanthurenic Acid.
J.Biol.Chem., 291, 2016
2FNJ
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BU of 2fnj by Molmil
Crystal structure of a B30.2/SPRY domain-containing protein GUSTAVUS in complex with Elongin B and Elongin C
Descriptor: CG2944-PF, isoform F, Transcription elongation factor B polypeptide 1, ...
Authors:Woo, J.S, Oh, B.H.
Deposit date:2006-01-11
Release date:2006-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional insights into the B30.2/SPRY domain
Embo J., 25, 2006
2VH4
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BU of 2vh4 by Molmil
Structure of a loop C-sheet serpin polymer
Descriptor: TENGPIN
Authors:Zhang, Q, Law, R.H.P, Bottomley, S.P, Whisstock, J.C, Buckle, A.M.
Deposit date:2007-11-19
Release date:2008-01-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A Structural Basis for Loop C-Sheet Polymerization in Serpins.
J.Mol.Biol., 376, 2008
4Z6C
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BU of 4z6c by Molmil
Structure of human DNA polymerase beta 279NA mutant complexed with G in the template base paired with incoming non-hydrolyzable CTP
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
Authors:Koag, M.-C, Lee, S.
Deposit date:2015-04-04
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.677 Å)
Cite:Insights into the effect of minor groove interactions and metal cofactors on mutagenic replication by human DNA polymerase beta.
Biochem. J., 475, 2018
6B7A
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BU of 6b7a by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-methyl-1H-benzo[d]imidazol-4-ol
Descriptor: 2-methyl-1H-benzimidazol-7-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Proudfoot, A.W, Bussiere, D, Lingel, A.
Deposit date:2017-10-03
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
5D6O
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BU of 5d6o by Molmil
Orthorhombic Crystal Structure of an acetylester hydrolase from Corynebacterium glutamicum
Descriptor: CHLORIDE ION, GLYCEROL, Homoserine O-acetyltransferase, ...
Authors:Niefind, K, Toelzer, C, Altenbuchner, J, Watzlawick, H.
Deposit date:2015-08-12
Release date:2015-12-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A novel esterase subfamily with alpha / beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to l-homoserine O-acetyl transferases.
Febs Lett., 590, 2016
4Z44
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BU of 4z44 by Molmil
F454K Mutant of Tryptophan 7-halogenase PrnA
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ...
Authors:Shepherd, S.A, Karthikeyan, C, Latham, J, Struck, A.-W, Thompson, M.L, Menon, B, Levy, C.W, Leys, D, Micklefield, J.
Deposit date:2015-04-01
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes.
Chem Sci, 6, 2015
6AV2
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BU of 6av2 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)phenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AW9
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BU of 6aw9 by Molmil
2.55A resolution structure of SAH bound catechol O-methyltransferase (COMT) L136M from Nannospalax galili
Descriptor: CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
1KME
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BU of 1kme by Molmil
CRYSTAL STRUCTURE OF BACTERIORHODOPSIN CRYSTALLIZED FROM BICELLES
Descriptor: 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, RETINAL, ...
Authors:Faham, S, Bowie, J.U.
Deposit date:2001-12-14
Release date:2002-02-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bicelle crystallization: a new method for crystallizing membrane proteins yields a monomeric bacteriorhodopsin structure.
J.Mol.Biol., 316, 2002
5D8G
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BU of 5d8g by Molmil
A structural view on the dissociation of E. coli Tryptophanase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Almog, O.
Deposit date:2015-08-17
Release date:2015-12-09
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A structural view of the dissociation of Escherichia coli tryptophanase.
Acta Crystallogr.,Sect.D, 71, 2015
2FRH
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BU of 2frh by Molmil
Crystal Structure of Sara, A Transcription Regulator From Staphylococcus Aureus
Descriptor: CALCIUM ION, Staphylococcal accessory regulator A
Authors:Liu, Y, Manna, A.C, Ingavale, S, Cheung, A.L, Zhang, G.
Deposit date:2006-01-19
Release date:2006-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and function analyses of the global regulatory protein SarA from Staphylococcus aureus.
Proc.Natl.Acad.Sci.Usa, 103, 2006
4Z8A
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BU of 4z8a by Molmil
SH3-III of Drosophila Rim-binding protein bound to a Cacophony derived peptide
Descriptor: RIM-binding protein, isoform F, Voltage-dependent calcium channel type A subunit alpha-1
Authors:Driller, J.H, Holton, N, Siebert, M, Boehme, A.M, Wahl, M.C, Sigrist, S.J, Loll, B.
Deposit date:2015-04-08
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:A high affinity RIM-binding protein/Aplip1 interaction prevents the formation of ectopic axonal active zones.
Elife, 4, 2015
3EQU
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BU of 3equ by Molmil
Crystal structure of penicillin-binding protein 2 from Neisseria gonorrhoeae
Descriptor: GLYCEROL, Penicillin-binding protein 2, SULFATE ION
Authors:Powell, A.J, Deacon, A.M, Nicholas, R.A, Davies, C.
Deposit date:2008-10-01
Release date:2008-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Penicillin-binding Protein 2 from Penicillin-susceptible and -resistant Strains of Neisseria gonorrhoeae Reveal an Unexpectedly Subtle Mechanism for Antibiotic Resistance.
J.Biol.Chem., 284, 2009
4JZW
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BU of 4jzw by Molmil
Crystal structure of CD4-mimetic miniprotein M48U1 in complex with HIV-1 YU2 gp120 in P212121 space group
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD4-MIMETIC MINIPROTEIN M48U1, ...
Authors:Acharya, P, Kwong, P.D.
Deposit date:2013-04-03
Release date:2013-06-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Structural Basis for Highly Effective HIV-1 Neutralization by CD4-Mimetic Miniproteins Revealed by 1.5 A Cocrystal Structure of gp120 and M48U1.
Structure, 21, 2013
5D9E
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BU of 5d9e by Molmil
Crystal Structure of the Proline-rich Lasso Peptide Caulosegnin II
Descriptor: CHLORIDE ION, Caulosegnin II
Authors:Fage, C.D, Hegemann, J.D, Harms, K, Marahiel, M.A.
Deposit date:2015-08-18
Release date:2016-02-17
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (0.859 Å)
Cite:The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II.
Mol Biosyst, 12, 2016
4Z6I
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BU of 4z6i by Molmil
Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand
Descriptor: Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate
Authors:Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
Deposit date:2015-04-05
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
6B8Z
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BU of 6b8z by Molmil
Multiconformer model of WT PTP1B with BB3 at 273 K
Descriptor: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Tyrosine-protein phosphatase non-receptor type 1
Authors:Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
Deposit date:2017-10-09
Release date:2018-06-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018

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