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Crystal Structure of NADP bound GDP-L-fucose synthase from Brucella ovis
Descriptor:	GDP-L-fucose synthase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:	Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2022-07-26
Release date:	2022-08-10
Last modified:	2024-04-03
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Crystal Structure of NADP bound GDP-L-fucose synthase from Brucella ovis to be published

5V0U

Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4723 4-(5-chlorothiophen-2-yl)-1H-pyrazole
Descriptor:	4-(5-chlorothiophen-2-yl)-1H-pyrazole, Polymerase acidic protein
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2017-02-28
Release date:	2017-03-08
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (2.45 Å)
Cite:	Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase To Be Published

5VT6

Crystal structure of Acetoacetyl-CoA Reductase from Burkholderia pseudomallei 1710b complexed with NADP
Descriptor:	1,2-ETHANEDIOL, ACETATE ION, Acetoacetyl-CoA reductase, ...
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2017-05-15
Release date:	2017-05-24
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Crystal structure of Acetoacetyl-CoA Reductase from Burkholderia pseudomallei 1710b complexed with NADP To be Published

5VIR

Crystal structure of probable nicotinate-nucleotide adenylyltransferase from Mycobacterium abscessus in complex with NADP and compound FOL0091
Descriptor:	1H,3H-naphtho[1,8-cd]pyran-1-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable nicotinate-nucleotide adenylyltransferase
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2017-04-17
Release date:	2017-04-26
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Crystal structure of probable nicotinate-nucleotide adenylyltransferase from Mycobacterium abcesus in complex with NADP and compound FOL0091 to be published

5W8J

Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29
Descriptor:	2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:	Lukacs, C.M, Moulin, A.
Deposit date:	2017-06-21
Release date:	2018-01-17
Last modified:	2024-04-03
Method:	X-RAY DIFFRACTION (1.55 Å)
Cite:	Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017

5W8K

Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH
Descriptor:	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
Authors:	Lukacs, C.M, Dranow, D.M.
Deposit date:	2017-06-21
Release date:	2018-01-17
Last modified:	2024-04-03
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017

5W8I

Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc
Descriptor:	2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:	Lukacs, C.M, Abendroth, J.
Deposit date:	2017-06-21
Release date:	2018-01-17
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.95 Å)
Cite:	Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017

5W8H

Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11
Descriptor:	2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:	Lukacs, C.M, Dranow, D.M.
Deposit date:	2017-06-21
Release date:	2018-01-17
Last modified:	2024-04-03
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017

4DLP

Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis bound to selenomethionine
Descriptor:	Aminoacyl-tRNA synthetase, class I:Aminoacyl-tRNA synthetase, class Ia:Methionyl-tRNA synthetase, ...
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2012-02-06
Release date:	2012-02-15
Last modified:	2023-12-06
Method:	X-RAY DIFFRACTION (2.65 Å)
Cite:	Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis. Plos One, 11, 2016

4G6C

Crystal structure of beta-hexosaminidase 1 from Burkholderia cenocepacia J2315
Descriptor:	Beta-hexosaminidase 1
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2012-07-18
Release date:	2012-08-01
Last modified:	2024-02-28
Method:	X-RAY DIFFRACTION (1.38 Å)
Cite:	Crystal structure of beta-hexosaminidase 1 from Burkholderia cenocepacia J2315 To be Published

4FUR

Crystal Structure of Urease subunit gamma 2 from Brucella melitensis biovar Abortus 2308
Descriptor:	1,2-ETHANEDIOL, CHLORIDE ION, Urease subunit gamma 2
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2012-06-28
Release date:	2012-08-15
Last modified:	2023-09-13
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Crystal Structure of Urease subunit gamma 2 from Brucella melitensis biovar Abortus 2308 TO BE PUBLISHED

4F2N

Crystal structure of iron superoxide dismutase from Leishmania major
Descriptor:	FE (II) ION, Superoxide dismutase
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2012-05-08
Release date:	2012-05-16
Last modified:	2023-09-13
Method:	X-RAY DIFFRACTION (1.85 Å)
Cite:	Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures. Acta Crystallogr F Struct Biol Commun, 71, 2015

4F82

X-ray crystal structure of a putative thioredoxin reductase from Burkholderia cenocepacia
Descriptor:	Thioredoxin Reductase
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2012-05-16
Release date:	2012-06-27
Last modified:	2023-09-13
Method:	X-RAY DIFFRACTION (1.85 Å)
Cite:	X-ray crystal structure of a putative thioredoxin reductase from Burkholderia cenocepacia TO BE PUBLISHED

4DZ6

Transition state mimic of nucleoside-diphosphate kinase from borrelia burgdorferi with bound vanadate and adp
Descriptor:	1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase, ...
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2012-02-29
Release date:	2012-03-14
Last modified:	2024-10-30
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	Structure and analysis of nucleoside diphosphate kinase from Borrelia burgdorferi prepared in a transition-state complex with ADP and vanadate moieties. Acta Crystallogr F Struct Biol Commun, 74, 2018

4DI6

crystal structure of nucleoside-diphosphate kinase from Borrelia burgdorferi
Descriptor:	Nucleoside diphosphate kinase
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2012-01-30
Release date:	2012-02-08
Last modified:	2024-11-27
Method:	X-RAY DIFFRACTION (2.4 Å)
Cite:	Structure and analysis of nucleoside diphosphate kinase from Borrelia burgdorferi prepared in a transition-state complex with ADP and vanadate moieties. Acta Crystallogr F Struct Biol Commun, 74, 2018

4H3E

Crystal structure of a putative iron superoxide dismutase from Trypanosoma cruzi bound to iron
Descriptor:	FE (II) ION, Superoxide dismutase
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2012-09-13
Release date:	2012-09-26
Last modified:	2023-09-20
Method:	X-RAY DIFFRACTION (2.25 Å)
Cite:	Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures. Acta Crystallogr F Struct Biol Commun, 71, 2015

1IOB

INTERLEUKIN-1 BETA FROM JOINT X-RAY AND NMR REFINEMENT
Descriptor:	INTERLEUKIN-1 BETA
Authors:	Shaanan, B, Clore, G.M.
Deposit date:	1996-03-14
Release date:	1996-08-17
Last modified:	2024-05-01
Method:	SOLUTION NMR (2 Å), X-RAY DIFFRACTION
Cite:	Combining experimental information from crystal and solution studies: joint X-ray and NMR refinement. Science, 257, 1992

6BKW

BTK complex with compound 12
Descriptor:	GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ...
Authors:	Kiefer, J.R, Eigenbrot, C, Yu, C.L.
Deposit date:	2017-11-09
Release date:	2018-11-07
Last modified:	2025-04-02
Method:	X-RAY DIFFRACTION (1.499 Å)
Cite:	Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019

6BQA

BRD9 bromodomain in complex with 3-(6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide
Descriptor:	3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Bromodomain-containing protein 9
Authors:	Murray, J.M, Tang, Y.
Deposit date:	2017-11-27
Release date:	2018-11-14
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.031 Å)
Cite:	Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019

3IUR

apPEP_D266Nx+H2H3 opened state
Descriptor:	GLYCEROL, H2H3 helices from villin headpiece subdomain HP35, POLYETHYLENE GLYCOL (N=34), ...
Authors:	Chiu, T.K.
Deposit date:	2009-08-31
Release date:	2010-05-05
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (2.05 Å)
Cite:	Induced-fit mechanism for prolyl endopeptidase J.Biol.Chem., 285, 2010

3IVM

apPEP_WT+PP closed state
Descriptor:	N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, prolyl endopeptidase
Authors:	Chiu, T.K.
Deposit date:	2009-09-01
Release date:	2010-05-05
Last modified:	2024-11-06
Method:	X-RAY DIFFRACTION (2.05 Å)
Cite:	Induced-fit mechanism for prolyl endopeptidase J.Biol.Chem., 285, 2010

3IUQ

apPEP_D622N+PP closed state
Descriptor:	GLYCEROL, N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, Prolyl Endopeptidase
Authors:	Chiu, T.K.
Deposit date:	2009-08-31
Release date:	2010-05-05
Last modified:	2023-09-06
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Induced-fit mechanism for prolyl endopeptidase J.Biol.Chem., 285, 2010

3IUL

apPEP_WT1 opened state
Descriptor:	GLYCEROL, Prolyl endopeptidase
Authors:	Chiu, T.K.
Deposit date:	2009-08-31
Release date:	2010-05-05
Last modified:	2024-11-27
Method:	X-RAY DIFFRACTION (1.95 Å)
Cite:	Induced-fit mechanism for prolyl endopeptidase J.Biol.Chem., 285, 2010

3IEW

Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with bound CTP and CDP
Descriptor:	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-DIPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:	Staker, B.L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2009-07-23
Release date:	2009-08-18
Last modified:	2023-09-06
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei. J Struct Funct Genomics, 12, 2011

3IKE

Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine
Descriptor:	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-AMINOPYRIMIDIN-2(1H)-ONE, CHLORIDE ION, ...
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2009-08-05
Release date:	2009-08-18
Last modified:	2023-09-06
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei. J Struct Funct Genomics, 12, 2011

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