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8DQC
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BU of 8dqc by Molmil
Crystal structure of 3-dehydroquinate dehydratase I from Klebsiella oxytoca (I222 Form)
Descriptor: 3-dehydroquinate dehydratase I, ACETATE ION, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-18
Release date:2022-07-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of 3-dehydroquinate dehydratase I from Klebsiella oxytoca (I222 Form)
To be published
8DOQ
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BU of 8doq by Molmil
Crystal structure of 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase from Klebsiella aerogenes (P21 Form)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase, BENZOIC ACID
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-14
Release date:2022-07-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase from Klebsiella aerogenes (P1 Form)
To be published
8DQ9
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BU of 8dq9 by Molmil
Crystal structure of GDP bound 3-dehydroquinate dehydratase I from Klebsiella oxytoca
Descriptor: 3-dehydroquinate dehydratase I, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-18
Release date:2022-07-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of GDP bound 3-dehydroquinate dehydratase I from Klebsiella oxytoca
To be published
8DOP
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BU of 8dop by Molmil
Crystal structure of 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase from Klebsiella aerogenes (P1 Form)
Descriptor: 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase, IODIDE ION, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-14
Release date:2022-07-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase from Klebsiella aerogenes (P1 Form)
To be published
8DOS
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BU of 8dos by Molmil
Crystal structure of Ferredoxin (flavodoxin):NADP(+) oxidoreductase from Klebsiella pneumoniae
Descriptor: CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavodoxin/ferredoxin--NADP reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-14
Release date:2022-07-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.872 Å)
Cite:Crystal structure of Ferredoxin (flavodoxin):NADP(+) oxidoreductase from Klebsiella pneumoniae
To be published
8DOR
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BU of 8dor by Molmil
Crystal structure of Dihydropteridine reductase/oxygen-insensitive NAD(P)H nitroreductase from Klebsiella pneumoniae
Descriptor: Dihydropteridine reductase/oxygen-insensitive NAD(P)H nitroreductase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-14
Release date:2022-07-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of Dihydropteridine reductase/oxygen-insensitive NAD(P)H nitroreductase from Klebsiella pneumoniae
To be published
8DQB
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BU of 8dqb by Molmil
Crystal structure of 3-dehydroquinate dehydratase I from Klebsiella oxytoca (I23 Form)
Descriptor: 3-dehydroquinate dehydratase I, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-18
Release date:2022-07-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of 3-dehydroquinate dehydratase I from Klebsiella oxytoca (I23 Form)
To be published
8DUR
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BU of 8dur by Molmil
Crystal structure of apo protein arginine N-methyltransferase 1 (PRMT1) from Naegleria fowleri
Descriptor: Protein arginine N-methyltransferase 1 (PRMT1)
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-27
Release date:2022-08-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of apo protein arginine N-methyltransferase 1 (PRMT1) from Naegleria fowleri
To be published
8EK7
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BU of 8ek7 by Molmil
Crystal structure of Hepes and Mg bound 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase from Klebsiella aerogenes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-09-20
Release date:2022-09-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Hepes and Mg bound 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase from Klebsiella aerogenes
To be published
8EES
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BU of 8ees by Molmil
Crystal structure of 3-deoxy-manno-octulosonate cytidylyltransferase from Klebsiella pneumoniae
Descriptor: 3-deoxy-manno-octulosonate cytidylyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-09-07
Release date:2022-09-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of 3-deoxy-manno-octulosonate cytidylyltransferase from Klebsiella pneumoniae
To be published
8EPS
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BU of 8eps by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with an allyl ester AMP inhibitor from Cryptococcus neoformans H99
Descriptor: 5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-10-06
Release date:2022-10-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of Acetyl-CoA synthetase in complex with an allyl ester AMP inhibitor from Cryptococcus neoformans H99
To be published
4EAN
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BU of 4ean by Molmil
1.75A resolution structure of indole bound beta-glycosidase (W33G) from sulfolobus solfataricus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-galactosidase, CHLORIDE ION, ...
Authors:Lovell, S, Battaile, K.P, Deckert, K, Brunner, L.C, Budiardjo, S.J, Karanicolas, J.
Deposit date:2012-03-22
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Designing allosteric control into enzymes by chemical rescue of structure.
J.Am.Chem.Soc., 134, 2012
4EAM
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BU of 4eam by Molmil
1.70A resolution structure of apo beta-glycosidase (W33G) from sulfolobus solfataricus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, ...
Authors:Lovell, S, Battaile, K.P, Deckert, K, Brunner, L.C, Budiardjo, S.J, Karanicolas, J.
Deposit date:2012-03-22
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Designing allosteric control into enzymes by chemical rescue of structure.
J.Am.Chem.Soc., 134, 2012
4E5D
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BU of 4e5d by Molmil
2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex
Descriptor: 2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole, Luciferin 4-monooxygenase
Authors:Lovell, S, Battaile, K.P, Throne, N, Shen, M, Auld, D.S, Inglese, J.
Deposit date:2012-03-14
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Firefly luciferase in chemical biology: a compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter.
Chem.Biol., 19, 2012
8G1W
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BU of 8g1w by Molmil
Crystal Structure Matriptase (C731S) in Complex with Inhibitor VD4162B
Descriptor: CHLORIDE ION, Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(KCM), Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(THZ), ...
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Janetka, J.W.
Deposit date:2023-02-03
Release date:2024-02-07
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Mechanism-Based Macrocyclic Inhibitors of Serine Proteases.
J.Med.Chem., 67, 2024
8FI5
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BU of 8fi5 by Molmil
Crystal Structure of Glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase) (NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA (Orthorhombic P Form 2)
Descriptor: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-12-15
Release date:2022-12-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase) (NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA (Orthorhombic P Form 2)
To be published
8FI6
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BU of 8fi6 by Molmil
Crystal Structure of Glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase) (NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA (Orthorhombic P Form 3)
Descriptor: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-12-15
Release date:2022-12-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase) (NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA (Orthorhombic P Form 3)
To be published
8F8U
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BU of 8f8u by Molmil
Bifunctional ligase/repressor BirA from Klebsiella pneumoniae (Domain Swapped Dimer)
Descriptor: Bifunctional ligase/repressor BirA, IMIDAZOLE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-22
Release date:2022-11-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Bifunctional ligase/repressor BirA from Klebsiella pneumoniae (Domain Swapped Dimer)
To be published
8FI3
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BU of 8fi3 by Molmil
Bifunctional ligase/repressor BirA from Klebsiella pneumoniae complexed with biotin (Domain Swapped Dimer)
Descriptor: BIOTIN, Bifunctional ligase/repressor BirA
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-12-15
Release date:2022-12-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bifunctional ligase/repressor BirA from Klebsiella pneumoniae complexed with biotin (Domain Swapped Dimer)
To be published
8FI4
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BU of 8fi4 by Molmil
Crystal Structure of Glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase) (NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA (Orthorhombic P Form 1)
Descriptor: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-12-15
Release date:2022-12-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase) (NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA (Orthorhombic P Form 1)
To be published
8F87
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BU of 8f87 by Molmil
Crystal structure of Ebola Zaire envelope glycoprotein GP in complex with compound ARN75092
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, GP1, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-21
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Ebola Zaire envelope glycoprotein GP in complex with compound ARN75092
To be Published
8F84
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BU of 8f84 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM787
Descriptor: 3-[2-(3-{[2,4-diamino-6-(4-hydroxybutyl)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
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM787
To be published
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
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM777
To be published
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
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM851
To be published
8F82
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BU of 8f82 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM845
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid, BROMIDE ION, ...
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
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM845
To be published

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