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5DRI
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BU of 5dri by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid inhibitor
Descriptor: (2Z)-2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
2MHA
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CRYSTAL STRUCTURE OF THE MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I H-2KB MOLECULE CONTAINING A SINGLE VIRAL PEPTIDE: IMPLICATIONS FOR PEPTIDE BINDING AND T-CELL RECEPTOR RECOGNITION
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (H-2KB) (ALPHA CHAIN), VIRAL OCTAPEPTIDE ARG-GLY-TYR-VAL-TYR-GLN-GLY-LEU
Authors:Zhang, W, Young, A.C.M, Imarai, M, Nathenson, S.G, Sacchettini, J.C.
Deposit date:1993-07-21
Release date:1993-10-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the major histocompatibility complex class I H-2Kb molecule containing a single viral peptide: implications for peptide binding and T-cell receptor recognition.
Proc.Natl.Acad.Sci.USA, 89, 1992
5E9X
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BU of 5e9x by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid
Descriptor: 2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-10-15
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5DRC
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BU of 5drc by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(1H-indol-3-yl)-4-oxobut-2-enoic acid
Descriptor: (2Z)-2-hydroxy-4-(1H-indol-3-yl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5DX7
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BU of 5dx7 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 5-(5-chlorothiophen-2-yl)isoxazole-3-carboxylic acid
Descriptor: 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-09-23
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5ECV
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BU of 5ecv by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(4-methyl-1H-indol-5-yl)-4-oxobut-2-enoic acid
Descriptor: (~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-10-20
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.085 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
2NTV
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BU of 2ntv by Molmil
Mycobacterium leprae InhA bound with PTH-NAD adduct
Descriptor: Enoyl-[ACP] reductase, {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Authors:Wang, F, Sacchettini, J.C.
Deposit date:2006-11-08
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of thioamide drug action against tuberculosis and leprosy.
J.Exp.Med., 204, 2007
2NTJ
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BU of 2ntj by Molmil
Mycobacterium tuberculosis InhA bound with PTH-NAD adduct
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH, {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Authors:Wang, F, Sacchettini, J.C.
Deposit date:2006-11-07
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of thioamide drug action against tuberculosis and leprosy.
J.Exp.Med., 204, 2007
2NVO
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BU of 2nvo by Molmil
Crystal structure of Deinococcus radiodurans RO (RSR) protein
Descriptor: CALCIUM ION, Ro sixty-related protein, RSR
Authors:Ramesh, A, Sacchettini, J.C.
Deposit date:2006-11-13
Release date:2007-03-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of Rsr, an ortholog of the antigenic Ro protein, links conformational flexibility to RNA binding activity.
J.Biol.Chem., 282, 2007
2NV6
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BU of 2nv6 by Molmil
Mycobacterium tuberculosis InhA (S94A) bound with INH-NAD adduct
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH, ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
Authors:Wang, F, Sacchettini, J.C.
Deposit date:2006-11-10
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Transfer of a point mutation in Mycobacterium tuberculosis inhA resolves the target of isoniazid.
NAT.MED. (N.Y.), 12, 2006
1KBA
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BU of 1kba by Molmil
CRYSTAL STRUCTURE OF KAPPA-BUNGAROTOXIN AT 2.3-ANGSTROM RESOLUTION
Descriptor: KAPPA-BUNGAROTOXIN
Authors:Dewan, J.C, Grant, G.A, Sacchettini, J.C.
Deposit date:1994-07-13
Release date:1994-12-20
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of kappa-bungarotoxin at 2.3-A resolution.
Biochemistry, 33, 1994
1AIV
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BU of 1aiv by Molmil
APO OVOTRANSFERRIN
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OVOTRANSFERRIN
Authors:Kurokawa, H, Dewan, J.C, Mikami, B, Sacchettini, J.C, Hirose, M.
Deposit date:1997-04-28
Release date:1998-04-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of hen apo-ovotransferrin. Both lobes adopt an open conformation upon loss of iron
J.Biol.Chem., 274, 1999
1QAP
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BU of 1qap by Molmil
QUINOLINIC ACID PHOSPHORIBOSYLTRANSFERASE WITH BOUND QUINOLINIC ACID
Descriptor: QUINOLINIC ACID, QUINOLINIC ACID PHOSPHORIBOSYLTRANSFERASE
Authors:Eads, J.C, Ozturk, D, Wexler, T.B, Grubmeyer, C, Sacchettini, J.C.
Deposit date:1996-09-20
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A new function for a common fold: the crystal structure of quinolinic acid phosphoribosyltransferase.
Structure, 5, 1997
2B9A
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BU of 2b9a by Molmil
Human transthyretin (TTR) complexed with diflunisal analogues- TTR.3',5'-difluorobiphenyl-4-carboxylic acid
Descriptor: 3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID, Transthyretin
Authors:Palaninathan, S.K, Kelly, J.W, Sacchettini, J.C.
Deposit date:2005-10-11
Release date:2005-10-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Diflunisal Analogues Stabilize the Native State of Transthyretin. Potent Inhibition of Amyloidogenesis.
J.Med.Chem., 47, 2004
1EAL
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BU of 1eal by Molmil
NMR STUDY OF ILEAL LIPID BINDING PROTEIN
Descriptor: ILEAL LIPID BINDING PROTEIN
Authors:Luecke, C, Zhang, F, Rueterjans, H, Hamilton, J.A, Sacchettini, J.C.
Deposit date:1996-08-28
Release date:1997-01-22
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Flexibility is a likely determinant of binding specificity in the case of ileal lipid binding protein.
Structure, 4, 1996
2C2Y
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BU of 2c2y by Molmil
Three Dimensional Structure of bifunctional methylenetetrahydrofolate dehydrogenase-cyclohydrolase from Mycobacterium tuberculosis
Descriptor: METHYLENETETRAHYDROFOLATE DEHYDROGENASE-METHENYLTETRAHYDROFOLATE CYCLOHYDROLASE
Authors:Javid-Majd, F, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2005-09-30
Release date:2005-10-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Three Dimensional Structure of Bifunctional Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase from Mycobacterium tuberculosis
To be Published
2C2X
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BU of 2c2x by Molmil
Three dimensional structure of bifunctional methylenetetrahydrofolate dehydrogenase-cyclohydrolase from Mycobacterium tuberculosis
Descriptor: METHYLENETETRAHYDROFOLATE DEHYDROGENASE-METHENYLTETRAHYDROFOLATE CYCLOHYDROLASE
Authors:Javid-Majd, F, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2005-09-30
Release date:2005-10-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three Dimensional Structure of Bifunctional Methylenetetrahydrofolate Dehydrogenase- Cyclohydrolase from Mycobacterium tuberculosis
To be Published
2CCA
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BU of 2cca by Molmil
Crystal structure of the catalase-peroxidase (KatG) and S315T mutant from Mycobacterium tuberculosis
Descriptor: PEROXIDASE/CATALASE T, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yu, H, Sacchettini, J.C.
Deposit date:2006-01-16
Release date:2006-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hydrogen Peroxide-Mediated Isoniazid Activation Catalyzed by Mycobacterium Tuberculosis Catalase-Peroxidase (Katg) and its S315T Mutant.
Biochemistry, 45, 2006
2CCD
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BU of 2ccd by Molmil
Crystal structure of the catalase-peroxidase (KatG) and S315T mutant from Mycobacterium tuberculosis
Descriptor: PEROXIDASE/CATALASE T, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yu, H, Sacchettini, J.C.
Deposit date:2006-01-16
Release date:2006-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hydrogen Peroxide-Mediated Isoniazid Activation Catalyzed by Mycobacterium Tuberculosis Catalase- Peroxidase (Katg) and its S315T Mutant.
Biochemistry, 45, 2006
1BYA
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BU of 1bya by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
Descriptor: BETA-AMYLASE, SULFATE ION
Authors:Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
Deposit date:1994-01-25
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
1BYB
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BU of 1byb by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
Descriptor: BETA-AMYLASE, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
Deposit date:1994-01-25
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
1BYC
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BU of 1byc by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
Descriptor: BETA-AMYLASE, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
Deposit date:1994-01-25
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
1BYD
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BU of 1byd by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
Descriptor: BETA-AMYLASE, SULFATE ION, alpha-D-glucopyranose-(1-4)-2-deoxy-beta-D-arabino-hexopyranose
Authors:Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
Deposit date:1994-01-25
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
1HMT
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BU of 1hmt by Molmil
1.4 ANGSTROMS STRUCTURAL STUDIES ON HUMAN MUSCLE FATTY ACID BINDING PROTEIN: BINDING INTERACTIONS WITH THREE SATURATED AND UNSATURATED C18 FATTY ACIDS
Descriptor: MUSCLE FATTY ACID BINDING PROTEIN, STEARIC ACID
Authors:Young, A.C.M, Scapin, G, Kromminga, A, Patel, S.B, Veerkamp, J.H, Sacchettini, J.C.
Deposit date:1994-01-02
Release date:1995-05-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural studies on human muscle fatty acid binding protein at 1.4 A resolution: binding interactions with three C18 fatty acids.
Structure, 2, 1994
1HMR
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BU of 1hmr by Molmil
1.4 ANGSTROMS STRUCTURAL STUDIES ON HUMAN MUSCLE FATTY ACID BINDING PROTEIN: BINDING INTERACTIONS WITH THREE SATURATED AND UNSATURATED C18 FATTY ACIDS
Descriptor: 9-OCTADECENOIC ACID, MUSCLE FATTY ACID BINDING PROTEIN
Authors:Young, A.C.M, Scapin, G, Kromminga, A, Patel, S.B, Veerkamp, J.H, Sacchettini, J.C.
Deposit date:1994-01-02
Release date:1995-05-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural studies on human muscle fatty acid binding protein at 1.4 A resolution: binding interactions with three C18 fatty acids.
Structure, 2, 1994

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