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6ACS
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BU of 6acs by Molmil
poly-cis-prenyltransferase
Descriptor: CITRIC ACID, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific), GLYCEROL, ...
Authors:Ko, T.-P, Chen, Y.
Deposit date:2018-07-27
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure of undecaprenyl pyrophosphate synthase from Acinetobacter baumannii
Acta Crystallogr F Struct Biol Commun, 74, 2018
7CM8
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BU of 7cm8 by Molmil
High resolution crystal structure of M92A mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae
Descriptor: Cysteine synthase, GLYCEROL, SODIUM ION
Authors:Kaushik, A, Rahisuddin, R, Saini, N, Kumaran, S.
Deposit date:2020-07-25
Release date:2020-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular mechanism of selective substrate engagement and inhibitor disengagement of cysteine synthase.
J.Biol.Chem., 296, 2020
7NYS
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BU of 7nys by Molmil
monomeric acetyl-CoA synthase in closed conformation with carbon monoxide bound to the Ni proximal of cluster A
Descriptor: $l^{3}-oxidanylidynemethylnickel, 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid, CHLORIDE ION, ...
Authors:Kreibich, J, Jeoung, J.H, Dobbek, H.
Deposit date:2021-03-23
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase
To Be Published
7NYP
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BU of 7nyp by Molmil
monomeric acetyl-CoA synthase in closed conformation
Descriptor: 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid, CO-methylating acetyl-CoA synthase, DI(HYDROXYETHYL)ETHER, ...
Authors:Kreibich, J, Jeoung, J.H, Dobbek, H.
Deposit date:2021-03-23
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase
To Be Published
7NZ5
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BU of 7nz5 by Molmil
monomeric acetyl-CoA synthase with Zn at the proximal position of cluster A
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid, CITRIC ACID, ...
Authors:Kreibich, J, Jeoung, J.H, Dobbek, H.
Deposit date:2021-03-23
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ligand binding at the Ni,Ni-[4Fe-4S] cluster of acetyl-CoA synthase
To Be Published
7C35
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BU of 7c35 by Molmil
Crystal structure of M96A mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae
Descriptor: Cysteine synthase
Authors:Abhishek, K, Rahisuddin, R, Kumaran, S.
Deposit date:2020-05-11
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of selective substrate engagement and inhibitor disengagement of cysteine synthase.
J.Biol.Chem., 296, 2020
1Q8J
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BU of 1q8j by Molmil
Cobalamin-dependent methionine synthase (1-566) from Thermotoga maritima (Cd2+, Hcy, methyltetrahydrofolate complex)
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydrofolate S-homocysteine methyltransferase, ...
Authors:Evans, J.C, Huddler, D.P, Hilgers, M.T, Romanchuk, G, Matthews, R.G, Ludwig, M.L.
Deposit date:2003-08-21
Release date:2004-03-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1Q7M
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BU of 1q7m by Molmil
Cobalamin-dependent methionine synthase (MetH) from Thermotoga maritima (Oxidized, Monoclinic)
Descriptor: 5-methyltetrahydrofolate S-homocysteine methyltransferase
Authors:Evans, J.C, Huddler, D.P, Hilgers, M.T, Romanchuk, G, Matthews, R.G, Ludwig, M.L.
Deposit date:2003-08-19
Release date:2004-03-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1Q85
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BU of 1q85 by Molmil
Cobalamin-dependent methionine synthase (1-566) from Thermotoga maritima (Cd2+ complex, Se-Met)
Descriptor: 5-methyltetrahydrofolate S-homocysteine methyltransferase, CADMIUM ION
Authors:Evans, J.C, Huddler, D.P, Hilgers, M.T, Romanchuk, G, Matthews, R.G, Ludwig, M.L.
Deposit date:2003-08-20
Release date:2004-03-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1Q7Z
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BU of 1q7z by Molmil
Cobalamin-dependent methionine synthase (1-566) from Thermotoga maritima (Cd2+ complex)
Descriptor: 5-methyltetrahydrofolate S-homocysteine methyltransferase, CADMIUM ION
Authors:Evans, J.C, Huddler, D.P, Hilgers, M.T, Romanchuk, G, Matthews, R.G, Ludwig, M.L.
Deposit date:2003-08-20
Release date:2004-03-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1Q7Q
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BU of 1q7q by Molmil
Cobalamin-dependent methionine synthase (1-566) from T. maritima (Oxidized, Orthorhombic)
Descriptor: 5-methyltetrahydrofolate S-homocysteine methyltransferase
Authors:Evans, J.C, Huddler, D.P, Hilgers, M.T, Romanchuk, G, Matthews, R.G, Ludwig, M.L.
Deposit date:2003-08-19
Release date:2004-03-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1Q8A
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BU of 1q8a by Molmil
Cobalamin-dependent methionine synthase (1-566) from Thermotoga maritima (Cd2+:L-Hcy complex, Se-Met)
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydrofolate S-homocysteine methyltransferase, CADMIUM ION
Authors:Evans, J.C, Huddler, D.P, Hilgers, M.T, Romanchuk, G, Matthews, R.G, Ludwig, M.L.
Deposit date:2003-08-20
Release date:2004-03-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
5XCW
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BU of 5xcw by Molmil
Crystal structure of M92A-M120A double mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae
Descriptor: Cysteine synthase
Authors:Abhishek, K, Kumaran, S.
Deposit date:2017-03-23
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Molecular Mechanism of Selective Substrate Engagement and Inhibitor Dis-engagement of Cysteine Synthase.
J.Biol.Chem., 2020
5ILZ
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BU of 5ilz by Molmil
Tobacco 5-epi-aristolochene synthase with BIS-TRIS propane (BTP) buffer molecule
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-epi-aristolochene synthase
Authors:Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P.
Deposit date:2016-03-05
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
4CX7
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BU of 4cx7 by Molmil
Structure of human iNOS heme domain in complex with (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE
Descriptor: (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
8QN5
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BU of 8qn5 by Molmil
M. tuberculosis salicylate synthase MbtI in complex with methyl-AMT (new crystal form)
Descriptor: 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, AMMONIUM ION, CITRATE ANION, ...
Authors:Mori, M, Villa, S, Meneghetti, M, Bellinzoni, M.
Deposit date:2023-09-25
Release date:2023-11-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery.
Pharmaceuticals, 16, 2023
8E0Z
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BU of 8e0z by Molmil
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase unbound:(bound)2:unbound Conformations
Descriptor: CHLORIDE ION, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive
Authors:Berti, P.J, Junop, M.S, Grainger, R.
Deposit date:2022-08-09
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
8E0V
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BU of 8e0v by Molmil
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with Mn(II), PEP, and Pi in unbound:(bound)2:other Conformations
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, PHOSPHOENOLPYRUVATE, ...
Authors:Berti, P.J, Junop, M.S, Grainger, R.
Deposit date:2022-08-09
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
8E0X
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BU of 8e0x by Molmil
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with Mn(II), PEP, and Pi in unbound:(bound)2:other Conformations
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, PHOSPHOENOLPYRUVATE, ...
Authors:Berti, P.J, Junop, M.S, Grainger, R.
Deposit date:2022-08-09
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
8E0T
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BU of 8e0t by Molmil
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with DAHP Oxime in unbound:(bound)2:other conformations
Descriptor: DAHP Oxime, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive
Authors:Berti, P.J, Junop, M.S, Grainger, R.
Deposit date:2022-08-09
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
8E0S
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BU of 8e0s by Molmil
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with DAHP Oxime in unbound:(bound)2:unbound conformations
Descriptor: DAHP Oxime, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive, ...
Authors:Berti, P.J, Junop, M.S, Grainger, R.
Deposit date:2022-08-09
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
5YPW
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BU of 5ypw by Molmil
Crystal structure of IlvN.Val-1b
Descriptor: Acetolactate synthase isozyme 1 small subunit, VALINE
Authors:Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B.
Deposit date:2017-11-03
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019
5YPY
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BU of 5ypy by Molmil
Crystal structure of IlvN. Val-1c
Descriptor: Acetolactate synthase isozyme 1 small subunit, VALINE
Authors:Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B.
Deposit date:2017-11-04
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.966 Å)
Cite:Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019
5XCP
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BU of 5xcp by Molmil
Crystal structure of M92A mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae
Descriptor: Cysteine synthase
Authors:Abhishek, K, Kumaran, S.
Deposit date:2017-03-23
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.043 Å)
Cite:Molecular Mechanism of Selective Substrate Engagement and Inhibitor Dis-engagement of Cysteine Synthase.
J.Biol.Chem., 2020
5XCN
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BU of 5xcn by Molmil
Crystal structure of M120A mutant of O-acetyl-L-serine sulfahydrylase from Haemophilus influenzae
Descriptor: Cysteine synthase
Authors:Abhishek, K, Kumaran, S.
Deposit date:2017-03-23
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Molecular Mechanism of Selective Substrate Engagement and Inhibitor Dis-engagement of Cysteine Synthase.
J.Biol.Chem., 2020

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