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1TY9
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BU of 1ty9 by Molmil
X-RAY CRYSTAL STRUCTURE OF PHZG FROM PSEUDOMONAS FLUORESCENS
Descriptor: FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, SULFATE ION
Authors:Parsons, J.F, Eisenstein, E, Ladner, J.E.
Deposit date:2004-07-07
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the phenazine biosynthesis enzyme PhzG.
Acta Crystallogr.,Sect.D, 60, 2004
5THH
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BU of 5thh by Molmil
Crystal structure of a human tyrosyl-tRNA synthetase mutant
Descriptor: TYROSINE, Tyrosine--tRNA ligase, cytoplasmic
Authors:Blocquel, D, Yang, X.L.
Deposit date:2016-09-29
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.959 Å)
Cite:Alternative stable conformation capable of protein misinteraction links tRNA synthetase to peripheral neuropathy.
Nucleic Acids Res., 45, 2017
5NOY
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BU of 5noy by Molmil
Structure of cyclophilin A in complex with 3,4-diaminobenzamide
Descriptor: 3,4-bis(azanyl)benzamide, Peptidyl-prolyl cis-trans isomerase A
Authors:Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D.
Deposit date:2017-04-13
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
1FT4
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BU of 1ft4 by Molmil
PHOTOCHEMICALLY-ENHANCED BINDING OF SMALL MOLECULES TO THE TUMOR NECROSIS FACTOR RECEPTOR-1
Descriptor: 5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE, SOLUBLE TUMOR NECROSIS FACTOR RECEPTOR 1
Authors:Muckelbauer, J.K, Chang, C.-H.
Deposit date:2000-09-11
Release date:2001-10-12
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-alpha.
Proc.Natl.Acad.Sci.USA, 98, 2001
4BPG
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BU of 4bpg by Molmil
Crystal structure of Bacillus subtilis DltC
Descriptor: D-ALANINE--POLY(PHOSPHORIBITOL) LIGASE SUBUNIT 2
Authors:Yonus, H, Zimmermann, S, Neumann, P, Stubbs, M.T.
Deposit date:2013-05-26
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High-Resolution Structures of the D-Alanyl Carrier Protein (Dcp) Dltc from Bacillus Subtilis Reveal Equivalent Conformations of Apo- and Holo-Forms
FEBS Lett., 589, 2015
3QXW
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BU of 3qxw by Molmil
Free structure of an anti-methotrexate CDR1-4 Graft VHH Antibody
Descriptor: Anti-Methotrexate CDR1-4 Graft VHH, SODIUM ION, SULFATE ION
Authors:Fanning, S.W, Horn, J.R.
Deposit date:2011-03-02
Release date:2011-07-27
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
1TWQ
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BU of 1twq by Molmil
Crystal structure of the C-terminal PGN-binding domain of human PGRP-Ialpha in complex with PGN analog muramyl tripeptide
Descriptor: N-acetyl-beta-muramic acid, NICKEL (II) ION, muramyl tripeptide, ...
Authors:Guan, R, Roychowdury, A, Boons, G.-A, Mariuzza, R.A.
Deposit date:2004-07-01
Release date:2004-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for peptidoglycan binding by peptidoglycan recognition proteins
Proc.Natl.Acad.Sci.USA, 101, 2004
2J73
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BU of 2j73 by Molmil
alpha-glucan rcognition by a family 41 carbohydrate-binding module from Thermotoga maritima pullulanase PulA
Descriptor: PULLULANASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Lammerts van Bueren, A, Boraston, A.B.
Deposit date:2006-10-05
Release date:2006-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Structural Basis of Alpha-Glucan Recognition by a Family 41 Carbohydrate-Binding Module from Thermotoga Maritima
J.Mol.Biol., 365, 2007
1NR1
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BU of 1nr1 by Molmil
Crystal structure of the R463A mutant of human Glutamate dehydrogenase
Descriptor: Glutamate dehydrogenase 1
Authors:Banerjee, S, Schmidt, T, Fang, J, Stanley, C.A, Smith, T.J.
Deposit date:2003-01-23
Release date:2003-05-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation
Biochemistry, 42, 2003
5U2A
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BU of 5u2a by Molmil
Crystal structure of Brucella canis Acyl-CoA Synthetase
Descriptor: AMP-dependent synthetase and ligase, CHLORIDE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Abendroth, J.
Deposit date:2016-11-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Brucella canis Acyl-CoA Synthetase
To Be Published
6B5A
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BU of 6b5a by Molmil
Carbonic anhydrase IX-mimic in complex with nitrogenous base-bearing benezenesulfonamide
Descriptor: 2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, ZINC ION
Authors:Lomelino, C.L, McKenna, R.M.
Deposit date:2017-09-28
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.622 Å)
Cite:Discovery of New Sulfonamide Carbonic Anhydrase IX Inhibitors Incorporating Nitrogenous Bases.
ACS Med Chem Lett, 8, 2017
4YFV
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BU of 4yfv by Molmil
X-ray structure of the 4-N-formyltransferase VioF from Providencia alcalifaciens O30
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, VioF
Authors:Genthe, N.A, Thoden, J.B, Benning, M.M, Holden, H.M.
Deposit date:2015-02-25
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Molecular structure of an N-formyltransferase from Providencia alcalifaciens O30.
Protein Sci., 24, 2015
4YFY
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BU of 4yfy by Molmil
X-ray structure of the Viof N-formyltransferase from Providencia alcalifaciens O30 in complex with THF and TDP-Qui4N
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ...
Authors:Genthe, N.A, Thoden, J.B, Benning, M.M, Holden, H.M.
Deposit date:2015-02-25
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular structure of an N-formyltransferase from Providencia alcalifaciens O30.
Protein Sci., 24, 2015
1QSR
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BU of 1qsr by Molmil
CRYSTAL STRUCTURE OF TETRAHYMENA GCN5 WITH BOUND ACETYL-COENZYME A
Descriptor: ACETYL COENZYME *A, TGCN5 HISTONE ACETYL TRANSFERASE
Authors:Rojas, J.R, Trievel, R.C, Zhou, J, Mo, Y, Li, X, Berger, S.L, David Allis, C, Marmorstein, R.
Deposit date:1999-06-23
Release date:1999-09-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Tetrahymena GCN5 bound to coenzyme A and a histone H3 peptide.
Nature, 401, 1999
5Q0D
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BU of 5q0d by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0H
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BU of 5q0h by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
5Q0F
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BU of 5q0f by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ...
Authors:Sheriff, S.
Deposit date:2017-05-01
Release date:2017-07-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
2J72
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BU of 2j72 by Molmil
alpha-glucan recognition by a family 41 carbohydrate-binding module from Thermotoga maritima pullulanase PulA
Descriptor: PULLULANASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Lammerts van Bueren, A, Boraston, A.B.
Deposit date:2006-10-05
Release date:2006-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The Structural Basis of Alpha-Glucan Recognition by a Family 41 Carbohydrate-Binding Module from Thermotoga Maritima
J.Mol.Biol., 365, 2007
5TVA
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BU of 5tva by Molmil
A. aeolicus BioW with AMP and CoA
Descriptor: 6-carboxyhexanoate--CoA ligase, ADENOSINE MONOPHOSPHATE, COENZYME A
Authors:Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K.
Deposit date:2016-11-08
Release date:2016-12-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
4GY5
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BU of 4gy5 by Molmil
Crystal structure of the tandem tudor domain and plant homeodomain of UHRF1 with Histone H3K9me3
Descriptor: E3 ubiquitin-protein ligase UHRF1, Peptide from Histone H3.3, ZINC ION
Authors:Cheng, J, Yang, Y, Fang, J, Xiao, J, Zhu, T, Chen, F, Wang, P, Xu, Y.
Deposit date:2012-09-05
Release date:2012-11-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.956 Å)
Cite:Structural insight into coordinated recognition of trimethylated histone H3 lysine 9 (H3K9me3) by the plant homeodomain (PHD) and tandem tudor domain (TTD) of UHRF1 (ubiquitin-like, containing PHD and RING finger domains, 1) protein
J.Biol.Chem., 288, 2013
6B59
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BU of 6b59 by Molmil
Carbonic anhydrase II in complex with nitrogenous base-bearing benezenesulfonamide
Descriptor: 2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Lomelino, C.L, McKenna, R.M.
Deposit date:2017-09-28
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.638 Å)
Cite:Discovery of New Sulfonamide Carbonic Anhydrase IX Inhibitors Incorporating Nitrogenous Bases.
ACS Med Chem Lett, 8, 2017
1NQT
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BU of 1nqt by Molmil
Crystal structure of bovine Glutamate dehydrogenase-ADP complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutamate dehydrogenase 1
Authors:Banerjee, S, Schmidt, T, Fang, J, Stanley, C.A, Smith, T.J.
Deposit date:2003-01-23
Release date:2003-05-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation
Biochemistry, 42, 2003
1KVQ
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BU of 1kvq by Molmil
UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH UDP-PHENOL
Descriptor: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Thoden, J.B, Gulick, A.M, Holden, H.M.
Deposit date:1997-03-07
Release date:1998-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular structures of the S124A, S124T, and S124V site-directed mutants of UDP-galactose 4-epimerase from Escherichia coli.
Biochemistry, 36, 1997
6L4Q
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BU of 6l4q by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-B
Descriptor: (3R)-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase
Authors:Babbar, P, Sharma, A, Manickam, Y, Mishra, S, Harlos, K.
Deposit date:2019-10-19
Release date:2021-05-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin inhibitor, Cla-B
Chembiochem, 2021
6L3Y
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BU of 6l3y by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-C
Descriptor: (3R)-3-[[(3S)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase, ...
Authors:Babbar, P, Sharma, A, Mishra, S, Manickam, Y, Harlos, K.
Deposit date:2019-10-15
Release date:2021-05-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin inhibitor, Cla-B
Chembiochem, 2021

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