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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

8F85

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

8F81

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

8F83

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
Method:	X-RAY DIFFRACTION (1.32 Å)
Cite:	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM846 To be published

8F80

Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM738
Descriptor:	1,2-ETHANEDIOL, 3-[2-(3-{[2,4-diamino-6-(4-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, ...
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 MAM738 To be published

8F82

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

8F84

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

4E5D

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

8FI4

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

8FI6

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

8FI5

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

8FI3

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

8FUY

Glucose-6-phosphate 1-dehydrogenase (G6PDH) from Crithidia fasciculata (citrate bound)
Descriptor:	CHLORIDE ION, CITRIC ACID, Glucose-6-phosphate 1-dehydrogenase
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2023-01-18
Release date:	2023-02-08
Method:	X-RAY DIFFRACTION (2.45 Å)
Cite:	Glucose-6-phosphate 1-dehydrogenase (G6PDH) from Crithidia fasciculata (citrate bound) To be published

8G0V

Crystal Structure of Acetyl-CoA synthetase in complex with a propyne ester AMP inhibitor from Cryptococcus neoformans H99
Descriptor:	1,2-ETHANEDIOL, 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase, ...
Authors:	Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2023-02-01
Release date:	2023-02-15
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Crystal Structure of Acetyl-CoA synthetase in complex with a propyne ester AMP inhibitor from Cryptococcus neoformans H99 To be published

8FT7

Crystal structure of SAH bound protein arginine N-methyltransferase 1 (PRMT1) from Naegleria fowleri
Descriptor:	PUA domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2023-01-11
Release date:	2023-01-25
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2.15 Å)
Cite:	Crystal structure of SAH bound protein arginine N-methyltransferase 1 (PRMT1) from Naegleria fowleri To be published

8G0R

Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopentyl ester AMP inhibitor from Cryptococcus neoformans H99
Descriptor:	5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
Authors:	Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2023-02-01
Release date:	2023-02-15
Method:	X-RAY DIFFRACTION (2.6 Å)
Cite:	Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopentyl ester AMP inhibitor from Cryptococcus neoformans H99 To be published

8G0U

Crystal Structure of Acetyl-CoA synthetase in complex with an isopropyl ester AMP inhibitor from Cryptococcus neoformans H99
Descriptor:	1,2-ETHANEDIOL, 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase
Authors:	Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2023-02-01
Release date:	2023-02-15
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Crystal Structure of Acetyl-CoA synthetase in complex with an isopropyl ester AMP inhibitor from Cryptococcus neoformans H99 To be published

8G0T

Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl ester AMP inhibitor from Cryptococcus neoformans H99
Descriptor:	1,2-ETHANEDIOL, 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
Authors:	Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2023-02-01
Release date:	2023-02-15
Method:	X-RAY DIFFRACTION (2.45 Å)
Cite:	Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl ester AMP inhibitor from Cryptococcus neoformans H99 To be published

4EAM

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

8G0S

Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopentyl ester AMP inhibitor from Cryptococcus neoformans H99 (tetragonal form)
Descriptor:	5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, CHLORIDE ION
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2023-02-01
Release date:	2023-02-15
Last modified:	2023-03-15
Method:	X-RAY DIFFRACTION (2.9 Å)
Cite:	Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopentyl ester AMP inhibitor from Cryptococcus neoformans H99 (tetragonal form) To Be Published

5IXE

1.75A RESOLUTION STRUCTURE OF 5-Fluoroindole BOUND BETA-GLYCOSIDASE (W33G) FROM SULFOLOBUS SOLFATARICUS
Descriptor:	(4S)-2-METHYL-2,4-PENTANEDIOL, 5-fluoro-1H-indole, Beta-galactosidase, ...
Authors:	Lovell, S, Battaile, K.P, Mehzabeen, N, Budiardjo, S.J, Karanicolas, J.
Deposit date:	2016-03-23
Release date:	2016-07-20
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	Full and Partial Agonism of a Designed Enzyme Switch. ACS Synth Biol, 5, 2016

8SA8

Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, Covalently bound and free PLP (I2 form)
Descriptor:	1,2-ETHANEDIOL, CHLORIDE ION, Cystathionine beta-lyase, ...
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2023-03-31
Release date:	2023-04-12
Method:	X-RAY DIFFRACTION (1.3 Å)
Cite:	Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes (I2 form) To be published

8SA9

Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP-Oxamate Adduct (C2 form)
Descriptor:	CITRATE ANION, Cystathionine beta-lyase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2023-03-31
Release date:	2023-04-12
Method:	X-RAY DIFFRACTION (1.1 Å)
Cite:	Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP-Oxamate Adduct (C2 form) To be published

8SBZ

Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (NAD bound, No sulfate hexagonal form)
Descriptor:	2,3-dihydroxybenzoate-2,3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2023-04-04
Release date:	2023-04-12
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (NAD bound, No sulfate hexagonal form) To be published

8SBN

Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (P21 Form 1)
Descriptor:	CHLORIDE ION, Dephospho-CoA kinase, GLYCEROL, ...
Authors:	Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:	2023-04-03
Release date:	2023-04-12
Method:	X-RAY DIFFRACTION (1.15 Å)
Cite:	Crystal Structure of Dephospho-CoA kinase from Klebsiella aerogenes (P21 Form 1) To be published

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