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3DBP
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BU of 3dbp by Molmil
Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 6-NH2-UMP
Descriptor: 6-AMINOURIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase, SULFATE ION
Authors:Liu, Y, To, T, Bello, A.M, Kotra, L.P, Pai, E.F.
Deposit date:2008-06-02
Release date:2009-06-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 6-NH2-UMP
To be Published
4YCJ
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BU of 4ycj by Molmil
Structure of Acetobacter aceti PurE Y154F
Descriptor: 1,2-ETHANEDIOL, N5-carboxyaminoimidazole ribonucleotide mutase, SULFATE ION
Authors:Kappock, T.J, Sullivan, K.L.
Deposit date:2015-02-20
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.845 Å)
Cite:Structure of a single tryptophan mutant of Acetobacter aceti PurE
To Be Published
4RV4
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BU of 4rv4 by Molmil
2.65 Angstrom Resolution Crystal Structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor' in complex with 5-phospho-alpha-D-ribosyl diphosphate (PRPP)
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, DI(HYDROXYETHYL)ETHER, Orotate phosphoribosyltransferase
Authors:Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-11-24
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:2.65 Angstrom resolution crystal structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor' in complex with 5-phospho-alpha-D-ribosyl diphosphate (PRPP)
To be Published
4U72
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BU of 4u72 by Molmil
Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (A260G mutant)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ...
Authors:Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y.
Deposit date:2014-07-30
Release date:2015-09-02
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase
to be published
4ZC8
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BU of 4zc8 by Molmil
Structure of Acetobacter aceti PurE-S57T
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, N5-carboxyaminoimidazole ribonucleotide mutase, ...
Authors:Kappock, T.J, Sullivan, K.L.
Deposit date:2015-04-15
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.754 Å)
Cite:Mutation of the conserved serine in two PurE classes
To Be Published
3GZ3
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BU of 3gz3 by Molmil
Leishmania major Dihydroorotate Dehydrogenase in complex with orotate
Descriptor: Dihydroorotate dehydrogenase, putative, FLAVIN MONONUCLEOTIDE, ...
Authors:Cordeiro, A.T, Feliciano, P.R, Nonato, M.C.
Deposit date:2009-04-06
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Leismania major dihydroorotate in complex with orotate
To be Published
4S1N
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BU of 4s1n by Molmil
The crystal structure of phosphoribosylglycinamide formyltransferase from Streptococcus pneumoniae TIGR4
Descriptor: CHLORIDE ION, Phosphoribosylglycinamide formyltransferase
Authors:Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-01-14
Release date:2015-01-28
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of phosphoribosylglycinamide formyltransferase from Streptococcus pneumoniae TIGR4
To be Published
3GZH
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BU of 3gzh by Molmil
Crystal structure of phosphate-bound adenylosuccinate lyase from E. coli
Descriptor: Adenylosuccinate lyase, PHOSPHATE ION, SODIUM ION
Authors:Kozlov, G, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2009-04-07
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of phosphate-bound Escherichia coli adenylosuccinate lyase identifies His171 as a catalytic acid.
Acta Crystallogr.,Sect.F, 65, 2009
3E2P
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BU of 3e2p by Molmil
Catalytic subunit of M. Jannaschii aspartate transcarbamoylase in an orthorhombic crystal form
Descriptor: Aspartate carbamoyltransferase, SULFATE ION
Authors:Vitali, J, Colaneri, M.J.
Deposit date:2008-08-06
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the catalytic trimer of Methanococcus jannaschii aspartate transcarbamoylase in an orthorhombic crystal form.
Acta Crystallogr.,Sect.F, 64, 2008
4U74
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BU of 4u74 by Molmil
Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (G262A mutant)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ...
Authors:Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y.
Deposit date:2014-07-30
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase
to be published
3EX1
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BU of 3ex1 by Molmil
human orotidyl-5'-monophosphate decarboxylase soaked with 6-cyano-UMP, converted to UMP
Descriptor: 6-cyanouridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ...
Authors:Heinrich, D, Diederichsen, U, Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EWY
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BU of 3ewy by Molmil
K314A mutant of human orotidyl-5'-monophosphate decarboxylase soaked with OMP, decarboxylated to UMP
Descriptor: GLYCEROL, Orotidine-5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
Authors:Heinrich, D, Diederichsen, U, Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
4ZK2
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BU of 4zk2 by Molmil
Structure of Acetobacter aceti PurE-S57D
Descriptor: 1,2-ETHANEDIOL, N5-carboxyaminoimidazole ribonucleotide mutase
Authors:Sullivan, K.L, Kappock, T.J.
Deposit date:2015-04-29
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.749 Å)
Cite:Serine mutants of Acetobacter aceti PurE
To be published
3EX2
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BU of 3ex2 by Molmil
human orotidyl-5'-monophosphate decarboxylase in complex with 6-cyano-UMP
Descriptor: 6-cyanouridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase
Authors:Heinrich, D, Diederichsen, U, Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EWW
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BU of 3eww by Molmil
D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-cyano-UMP, covalent adduct
Descriptor: 6-[(E)-iminomethyl]uridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase
Authors:Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EWZ
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BU of 3ewz by Molmil
human orotidyl-5'-monophosphate decarboxylase in complex with 5-cyano-UMP
Descriptor: 5-CYANO-URIDINE-5'-MONOPHOSPHATE, Orotidine-5'-phosphate decarboxylase, SULFATE ION
Authors:Heinrich, D, Diederichsen, U, Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3F1Q
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BU of 3f1q by Molmil
Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 1
Descriptor: (2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide, ACETIC ACID, Dihydroorotate dehydrogenase, ...
Authors:Heikkila, T, Davies, M, McConkey, G.A, Fishwick, C.W.G, Parsons, M.R, Johnson, A.P.
Deposit date:2008-10-28
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases
J.Med.Chem., 52, 2009
3EX6
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BU of 3ex6 by Molmil
D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, covalent adduct
Descriptor: CHLORIDE ION, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ...
Authors:Heinrich, D, Diederichsen, U, Rudolph, M.
Deposit date:2008-10-16
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3FJL
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BU of 3fjl by Molmil
Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 3
Descriptor: (2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide, ACETIC ACID, Dihydroorotate dehydrogenase, ...
Authors:Heikkila, T.
Deposit date:2008-12-14
Release date:2009-06-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design, synthesis, and characterization of inhibitors of human and Plasmodium falciparum dihydroorotate dehydrogenases
J.Med.Chem., 52, 2009
3GYE
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BU of 3gye by Molmil
Didydroorotate dehydrogenase from Leishmania major
Descriptor: Dihydroorotate dehydrogenase, putative, FLAVIN MONONUCLEOTIDE, ...
Authors:Cordeiro, A.T, Feliciano, P.R, Nonato, M.C.
Deposit date:2009-04-03
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Leishmania major Dihydroorotate dehydrogenase
To be Published
6VCU
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BU of 6vcu by Molmil
Homo sapiens FKBP12 protein bound with APX879 in P32 space group
Descriptor: ACETATE ION, N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
6V52
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BU of 6v52 by Molmil
IDO1 IN COMPLEX WITH COMPOUND 1
Descriptor: 3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide, Indoleamine 2,3-dioxygenase 1
Authors:Lesburg, C.A, Koenig, K.V, Augustin, M.A.
Deposit date:2019-12-03
Release date:2020-04-08
Last modified:2020-04-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).
Acs Med.Chem.Lett., 11, 2020
3KIZ
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BU of 3kiz by Molmil
Crystal structure of Putative phosphoribosylformylglycinamidine cyclo-ligase (YP_676759.1) from CYTOPHAGA HUTCHINSONII ATCC 33406 at 1.50 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Phosphoribosylformylglycinamidine cyclo-ligase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-11-02
Release date:2009-11-17
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Putative phosphoribosylformylglycinamidine cyclo-ligase (YP_676759.1) from CYTOPHAGA HUTCHINSONII ATCC 33406 at 1.50 A resolution
To be published
6VTY
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BU of 6vty by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM483
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Phillips, M.
Deposit date:2020-02-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020
6VTN
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BU of 6vtn by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM557
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Phillips, M.
Deposit date:2020-02-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020

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