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8F83
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BU of 8f83 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM846
Descriptor: 3-{2-[3-({2,4-diamino-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, Dihydrofolate reductase, IMIDAZOLE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-21
Release date:2023-12-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 2024
8F85
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BU of 8f85 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM851
Descriptor: 3-{2-[3-({(6M)-2,4-diamino-6-[2-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-21
Release date:2023-12-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 2024
8F81
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BU of 8f81 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM777
Descriptor: 3-(2-{3-[(2,4-diamino-6-pentylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-21
Release date:2023-12-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 2024
8W1D
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BU of 8w1d by Molmil
CRYSTAL STRUCTURE OF DPS-LIKE PROTEIN PA4880 FROM PSEUDOMONAS AERUGINOSA (DIMERIC FORM)
Descriptor: DPS-LIKE PROTEIN, FE (II) ION
Authors:Lovell, S, Battaile, K.P, Rivera, M.
Deposit date:2024-02-15
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity.
Front Mol Biosci, 11, 2024
8TBR
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BU of 8tbr by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM758
Descriptor: 3-(2-{3-[(2,4-diamino-6-phenylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-06-29
Release date:2024-08-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 2024
8TA1
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BU of 8ta1 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM907
Descriptor: 3-(2-{3-[(2,4-diamino-6-cyclohexylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, ACETATE ION, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-06-26
Release date:2024-08-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 2024
8TA0
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BU of 8ta0 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM881
Descriptor: 3-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-06-26
Release date:2024-08-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens.
J.Med.Chem., 2024
8U91
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BU of 8u91 by Molmil
Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (Apo, Orthorhombic P form)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, N-acetylneuraminate lyase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-18
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (Apo, Orthorhombic P form)
To be published
8U92
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BU of 8u92 by Molmil
Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate bound, Orthorhombic P form)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-18
Release date:2023-09-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate bound, Orthorhombic P form)
To be published
8U90
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BU of 8u90 by Molmil
Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (Apo, hexagonal form)
Descriptor: CHLORIDE ION, GLYCEROL, IODIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-18
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (Apo, hexagonal form)
To be published
8U96
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BU of 8u96 by Molmil
Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (ATP bound)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-18
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (ATP bound)
To be published
8U8W
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BU of 8u8w by Molmil
Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate and halides bound)
Descriptor: CHLORIDE ION, GLYCEROL, IODIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-18
Release date:2023-09-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate and halides bound)
To be published
8U93
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BU of 8u93 by Molmil
Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (PEG bound)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-18
Release date:2023-09-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (PEG bound)
To be published
8U97
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BU of 8u97 by Molmil
Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (AMP-PNP bound)
Descriptor: Dephospho-CoA kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-18
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (AMP-PNP bound)
To be published
8UR1
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BU of 8ur1 by Molmil
Crystal structure N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate bound halide free active site)
Descriptor: CHLORIDE ION, GLYCEROL, N-acetylneuraminate lyase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-10-25
Release date:2023-11-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate bound halide free active site)
To be published
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