PDB Search results for query - Protein Data Bank Japan

PDB: 426 results

Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM16
Descriptor:	2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide, Polyketide synthase Pks13 (Termination polyketide synthase), SULFATE ION
Authors:	Aggarwal, A, Sacchettini, J.C.
Deposit date:	2017-03-08
Release date:	2017-07-05
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.98 Å)
Cite:	Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13. Cell, 170, 2017

5V3W

Crystal Structure of the Apo form of Thioesterase domain of Mtb Pks13
Descriptor:	(2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, Polyketide synthase Pks13 (Termination polyketide synthase)
Authors:	Aggarwal, A, Sacchettini, J.C.
Deposit date:	2017-03-08
Release date:	2017-07-05
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.723 Å)
Cite:	Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13. Cell, 170, 2017

1KZX

Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T)
Descriptor:	INTESTINAL FATTY ACID-BINDING PROTEIN (T54)
Authors:	Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A.
Deposit date:	2002-02-08
Release date:	2003-07-01
Last modified:	2024-05-22
Method:	SOLUTION NMR
Cite:	Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism Biochemistry, 42, 2003

6AU9

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with dioxine-phenyldiketoacid
Descriptor:	(2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:	Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:	2017-08-31
Release date:	2018-09-05
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58, 2018

6APZ

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-hydroxy-phenyldiketoacid
Descriptor:	(2Z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:	Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:	2017-08-18
Release date:	2018-08-22
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (2.254 Å)
Cite:	Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58, 2018

6ASU

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-methyl-phenyldiketoacid
Descriptor:	(2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G, ...
Authors:	Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:	2017-08-25
Release date:	2018-08-29
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (2.316 Å)
Cite:	Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58, 2018

6AS6

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-Prop-6-Me-phenyldiketoacid
Descriptor:	(2Z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:	Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:	2017-08-23
Release date:	2018-08-29
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.4 Å)
Cite:	Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58, 2018

1KZW

Solution structure of Human Intestinal Fatty acid binding protein
Descriptor:	INTESTINAL FATTY ACID-BINDING PROTEIN (A54)
Authors:	Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A.
Deposit date:	2002-02-08
Release date:	2003-07-01
Last modified:	2024-05-22
Method:	SOLUTION NMR
Cite:	Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism Biochemistry, 42, 2003

6BA7

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Cl-4-OH-phenyldiketoacid
Descriptor:	(2Z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:	Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:	2017-10-12
Release date:	2018-09-05
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (2.496 Å)
Cite:	Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58, 2018

6AXB

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-naphthyldiketoacid
Descriptor:	(2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:	Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:	2017-09-06
Release date:	2018-09-05
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58, 2018

6BU1

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-3-OH-phenyldiketoacid
Descriptor:	(2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:	Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:	2017-12-08
Release date:	2018-09-05
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.584 Å)
Cite:	Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58, 2018

6C6O

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-4-OH-phenyldiketoacid
Descriptor:	(2Z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:	Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:	2018-01-19
Release date:	2018-09-05
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58, 2018

6C8P

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-phenyldiketoacid
Descriptor:	(2Z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:	Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:	2018-01-25
Release date:	2018-09-05
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.635 Å)
Cite:	Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58, 2018

6C7B

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with Methoxynaphthyldiketoacid
Descriptor:	(2Z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:	Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:	2018-01-22
Release date:	2018-09-05
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (2.133 Å)
Cite:	Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58, 2018

6C2X

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-6-Me-phenyldiketoacid
Descriptor:	(2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid, MAGNESIUM ION, Malate synthase G
Authors:	Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:	2018-01-09
Release date:	2018-09-05
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (2.6 Å)
Cite:	Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. J Chem Inf Model, 58, 2018

2GP6

X-ray crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase II (mtKasB)
Descriptor:	3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:	Sridharan, S, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:	2006-04-17
Release date:	2006-07-18
Last modified:	2024-02-14
Method:	X-RAY DIFFRACTION (2.4 Å)
Cite:	X-Ray Crystal Structure of Mycobacterium tuberculosis beta-Ketoacyl Acyl Carrier Protein Synthase II (mtKasB). J.Mol.Biol., 366, 2007

6D8I

Mycobacterium tuberculosis polyketide synthase 13 N-terminal acyl carrier protein domain
Descriptor:	1,2-ETHANEDIOL, CALCIUM ION, Polyketide synthase, ...
Authors:	Tang, S, Sacchettini, J.
Deposit date:	2018-04-26
Release date:	2018-06-06
Last modified:	2024-11-13
Method:	X-RAY DIFFRACTION (1.65 Å)
Cite:	Mycobacterium tuberculosis polyketide synthase 13 N-terminal acyl carrier protein domain To be Published

6DNM

The crystal structure of SatS c-terminal domain
Descriptor:	Export chaperone SatS
Authors:	Hughes, R.C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:	2018-06-07
Release date:	2019-01-23
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.397 Å)
Cite:	Mycobacterium tuberculosisSatS is a chaperone for the SecA2 protein export pathway. Elife, 8, 2019

6D8J

Mycobacterium tuberculosis polyketide synthase 13 N-terminal acyl carrier protein domain
Descriptor:	1,2-ETHANEDIOL, CALCIUM ION, Polyketide synthase, ...
Authors:	Tang, S, Sacchettini, J.
Deposit date:	2018-04-26
Release date:	2018-06-06
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.63 Å)
Cite:	Mycobacterium tuberculosis polyketide synthase 13 N-terminal acyl carrier protein domain To be Published

5C9X

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,4-dichloro-5-fluorobenzoic acid
Descriptor:	2,4-dichloro-5-fluorobenzoic acid, MAGNESIUM ION, Malate synthase G
Authors:	Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-06-29
Release date:	2016-08-10
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

5CBB

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylate
Descriptor:	(5E)-5-(3H-indol-3-ylidene)-2,5-dihydro-1H-pyrazole-3-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:	Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-06-30
Release date:	2016-08-10
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2.012 Å)
Cite:	Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016

5CJN

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)acrylate
Descriptor:	3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, MAGNESIUM ION, Malate synthase G
Authors:	Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-07-14
Release date:	2016-08-10
Last modified:	2024-11-13
Method:	X-RAY DIFFRACTION (2.19 Å)
Cite:	Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016

5C9U

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-(2-(2,4-dichlorophenyl)hydrazinyl)-2-oxoacetic acid
Descriptor:	MAGNESIUM ION, Malate synthase G, [2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid
Authors:	Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-06-29
Release date:	2016-08-10
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (1.95 Å)
Cite:	Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016

5CBI

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 5-chloro-2-hydroxybenzonitrile
Descriptor:	5-chloro-2-hydroxybenzonitrile, MAGNESIUM ION, Malate synthase G
Authors:	Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-06-30
Release date:	2016-08-10
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (1.988 Å)
Cite:	Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016

5CC6

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-indole-5-carboxylic acid
Descriptor:	1H-indole-5-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:	Huang, H.-L, Sacchettini, J.C.
Deposit date:	2015-07-01
Release date:	2016-08-10
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Crystal structures of fragment-bound malate synthase from Mycobacterium tuberculosis provide insights into mechanism and potential inhibitor designs To Be Published

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Total results:	426
Displayed results:	25
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Deposition authors:	"Sacchettini, J"