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5SD5
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BU of 5sd5 by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1230
Descriptor: 1,2-ETHANEDIOL, 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1230
to be published
5SCX
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BU of 5scx by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1190 (racemic mixture)
Descriptor: (2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, 1,2-ETHANEDIOL, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1190 (racemic mixture)
to be published
5SCO
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BU of 5sco by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-M7
Descriptor: 2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide, BROMIDE ION, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-M7
to be published
5SCM
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BU of 5scm by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-22
Descriptor: 1,2-ETHANEDIOL, Dihydrofolate reductase, IODIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-22
to be published
5SCP
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BU of 5scp by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-23
Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-23
to be published
5SD4
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BU of 5sd4 by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1218
Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1218
to be published
5SCR
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BU of 5scr by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-735
Descriptor: (2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-735
to be published
5SCN
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BU of 5scn by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-25
Descriptor: 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-25
to be published
6ZA6
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BU of 6za6 by Molmil
M. tuberculosis salicylate synthase MbtI in complex with Ba2+
Descriptor: BARIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M.
Deposit date:2020-06-04
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design.
J.Med.Chem., 63, 2020
6ZA5
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BU of 6za5 by Molmil
M. tuberculosis salicylate synthase MbtI in complex with salicylate and Mg2+
Descriptor: 2-HYDROXYBENZOIC ACID, ACETATE ION, MAGNESIUM ION, ...
Authors:Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M.
Deposit date:2020-06-04
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.109 Å)
Cite:Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design.
J.Med.Chem., 63, 2020
6VGK
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BU of 6vgk by Molmil
ClpP1P2 complex from M. tuberculosis
Descriptor: ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2
Authors:Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E.
Deposit date:2020-01-08
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR.
Proc.Natl.Acad.Sci.USA, 117, 2020
7NPH
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BU of 7nph by Molmil
Crystal structure of Mycobacterium tuberculosis ArgC in complex with 5-methoxy-1,3-benzoxazole-2-carboxylic acid
Descriptor: 5-methoxy-1,3-benzoxazole-2-carboxylic acid, N-acetyl-gamma-glutamyl-phosphate reductase, PHOSPHATE ION
Authors:Gupta, P, Mendes, V, Blundell, T.L.
Deposit date:2021-02-26
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NPJ
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BU of 7npj by Molmil
Crystal structure of Mycobacterium tuberculosis ArgC in complex with 6-phenoxy-3-pyridinamine
Descriptor: 6-phenoxy-3-pyridinamine, N-acetyl-gamma-glutamyl-phosphate reductase
Authors:Gupta, P, Mendes, V, Blundell, T.L.
Deposit date:2021-02-27
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
8R6P
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BU of 8r6p by Molmil
Mycobacterium smegnatis RNA polymerase RP2-like transcription initiation complex with SigmaA, RbpA, HelD N-terminal domain and open promoter DNA
Descriptor: DNA 50-MER, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Koval, T, Krasny, L, Dohnalek, J, Kouba, T.
Deposit date:2023-11-22
Release date:2024-10-02
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Molecular insights into RNA polymerase recycling by mycobacterial HelD
To Be Published
8R6R
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BU of 8r6r by Molmil
Mycobacterium smegnatis RNA polymerase RP2-like transcription initiation complex with SigmaA, RbpA and open promoter DNA
Descriptor: DNA 50-MER, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Koval, T, Krasny, L, Dohnalek, J, Kouba, T.
Deposit date:2023-11-22
Release date:2024-10-02
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Molecular insights into RNA polymerase recycling by mycobacterial HelD
To Be Published
4KHP
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BU of 4khp by Molmil
Structure of the Thermus thermophilus 30S ribosomal subunit in complex with de-6-MSA-pactamycin
Descriptor: 16S Ribosomal RNA, 30S Ribosomal protein S10, 30S Ribosomal protein S11, ...
Authors:Tourigny, D.S, Fernandez, I.S, Kelley, A.C, Ramakrishnan, V.
Deposit date:2013-05-01
Release date:2013-06-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of a Bioactive Pactamycin Analog Bound to the 30S Ribosomal Subunit.
J.Mol.Biol., 425, 2013
5TW1
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BU of 5tw1 by Molmil
Crystal structure of a Mycobacterium smegmatis transcription initiation complex with RbpA
Descriptor: 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ...
Authors:Hubin, E.A, Darst, S.A, Campbell, E.A.
Deposit date:2016-11-10
Release date:2017-01-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure and function of the mycobacterial transcription initiation complex with the essential regulator RbpA.
Elife, 6, 2017
5OIR
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BU of 5oir by Molmil
InhA (T2A mutant) complexed with 2,6-Dimethyl-3-(1-(pyrimidin-2-yl)piperidin-4-yl)pyridin-4(1H)-one
Descriptor: 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one, 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIT
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BU of 5oit by Molmil
InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine
Descriptor: 5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIS
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BU of 5ois by Molmil
InhA (T2A mutant) complexed with 4-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(2-chloro-4-fluorobenzyl)benzamide
Descriptor: 4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
4AW3
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BU of 4aw3 by Molmil
Structure of the mixed-function P450 MycG F286V mutant in complex with mycinamicin V in P1 space group
Descriptor: GLYCEROL, MYCINAMICIN V, P-450-LIKE PROTEIN, ...
Authors:Li, S, Tietz, D.R, Rutaganira, F.U, Kells, P.M, Anzai, Y, Kato, F, Pochapsky, T.C, Sherman, D.H, Podust, L.M.
Deposit date:2012-05-30
Release date:2012-09-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
5OVK
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BU of 5ovk by Molmil
Crystal structure MabA bound to NADPH from M. smegmatis
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M.
Deposit date:2017-08-29
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA.
Acta Crystallogr D Struct Biol, 74, 2018
7PQH
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BU of 7pqh by Molmil
Cryo-EM structure of Saccharomyces cerevisiae TOROID (TORC1 Organized in Inhibited Domains).
Descriptor: Serine/threonine-protein kinase TOR2, Target of rapamycin complex 1 subunit KOG1,Target of rapamycin complex 1 subunit Kog1, Target of rapamycin complex subunit LST8
Authors:Felix, J, Prouteau, M, Bourgoint, C, Bonadei, L, Desfosses, A, Gabus, C, Sadian, Y, Savvides, S.N, Gutsche, I, Loewith, R.
Deposit date:2021-09-17
Release date:2023-01-18
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:EGOC inhibits TOROID polymerization by structurally activating TORC1.
Nat.Struct.Mol.Biol., 30, 2023
5OIC
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BU of 5oic by Molmil
InhA (T2A mutant) complexed with (4-((1H-pyrazol-1-yl)methyl)phenyl)methanol
Descriptor: 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Convery, M.A.
Deposit date:2017-07-18
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIO
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BU of 5oio by Molmil
InhA (T2A mutant) complexed with 5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-N-ethyl-1,3,4-thiadiazol-2-amine
Descriptor: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018

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数据于2024-10-16公开中

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