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5H1W
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BU of 5h1w by Molmil
Crystal Structure of Hyperthermophilic Thermotoga maritima L-Ketose-3-Epimerase with Mn2+ and L(+)-Erythrulose
分子名称: L-Erythrulose, MANGANESE (II) ION, PENTAETHYLENE GLYCOL, ...
著者Cao, T.P, Shin, S.M, Lee, D.W, Lee, S.H.
登録日2016-10-12
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献TM0416, a Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5and C6Epimerization Reactions
Appl. Environ. Microbiol., 83, 2017
5E8N
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BU of 5e8n by Molmil
The structure of the TEIPP associated Trh4 peptide in complex with H-2D(b)
分子名称: Beta-2-microglobulin, Ceramide synthase 5, GLYCEROL, ...
著者Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A.
登録日2015-10-14
公開日2016-02-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer.
J Immunol., 196, 2016
3CWD
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BU of 3cwd by Molmil
Molecular recognition of nitro-fatty acids by PPAR gamma
分子名称: (9E,12Z)-10-nitrooctadeca-9,12-dienoic acid, (9Z,12E)-12-nitrooctadeca-9,12-dienoic acid, Peroxisome proliferator-activated receptor gamma, ...
著者Martynowski, D, Li, Y.
登録日2008-04-21
公開日2008-07-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular recognition of nitrated fatty acids by PPAR gamma.
Nat.Struct.Mol.Biol., 15, 2008
4Q1F
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BU of 4q1f by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R {N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide}
分子名称: Deoxycytidine kinase, N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
3CTT
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BU of 3ctt by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with Casuarine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CASUARINE, GLYCEROL, ...
著者Sim, L, Rose, D.R.
登録日2008-04-14
公開日2009-02-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Total syntheses of casuarine and its 6-O-alpha-glucoside: complementary inhibition towards glycoside hydrolases of the GH31 and GH37 families
Chemistry, 15, 2009
3CY6
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BU of 3cy6 by Molmil
Crystal Structure of E18Q DJ-1
分子名称: Protein DJ-1
著者Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hasim, S, Pozharski, E, Wilson, M.A.
登録日2008-04-25
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
5GG5
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BU of 5gg5 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hydrolase, ...
著者Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
登録日2016-06-15
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
5GG8
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BU of 5gg8 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP, 8-oxo-dGMP and pyrophosphate (II)
分子名称: 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Hydrolase, ...
著者Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
登録日2016-06-15
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
5GG9
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BU of 5gg9 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-GTP, 8-oxo-GMP and pyrophosphate
分子名称: 8-OXO-GUANOSINE-5'-TRIPHOSPHATE, Hydrolase, NUDIX family protein, ...
著者Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
登録日2016-06-15
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
3CZ7
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BU of 3cz7 by Molmil
Molecular Basis for the Autoregulation of the Protein Acetyl Transferase Rtt109
分子名称: ACETYL COENZYME *A, Regulator of Ty1 transposition protein 109
著者Hoelz, A, Stavropoulos, P.
登録日2008-04-28
公開日2008-09-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the autoregulation of the protein acetyl transferase Rtt109
Proc.Natl.Acad.Sci.Usa, 105, 2008
5DQW
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BU of 5dqw by Molmil
The crystal structure of Bacillus subtilis YpgQ in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, NICKEL (II) ION, Uncharacterized protein
著者Jeon, Y.J, Song, W.S, Yoon, S.I.
登録日2015-09-15
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and biochemical characterization of bacterial YpgQ protein reveals a metal-dependent nucleotide pyrophosphohydrolase
J.Struct.Biol., 195, 2016
3CRK
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BU of 3crk by Molmil
Crystal structure of the PDHK2-L2 complex.
分子名称: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial, POTASSIUM ION, ...
著者Green, T.J, Popov, K.M, Luo, M, Grigorian, A, Klyuyeva, A, Tuganova, A.
登録日2008-04-07
公開日2008-04-29
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional insights into the molecular mechanisms responsible for the regulation of pyruvate dehydrogenase kinase 2.
J.Biol.Chem., 283, 2008
5GGA
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BU of 5gga by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-GDP, 8-oxo-GMP and pyrophosphate
分子名称: Hydrolase, NUDIX family protein, MAGNESIUM ION, ...
著者Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
登録日2016-06-15
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
5GGD
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BU of 5ggd by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with phosphate and magnesium ions (excess magnesium, II)
分子名称: Hydrolase, NUDIX family protein, MAGNESIUM ION, ...
著者Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
登録日2016-06-15
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
4Q1D
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BU of 4q1d by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 9 {2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine}
分子名称: (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
3DAP
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BU of 3dap by Molmil
C. GLUTAMICUM DAP DEHYDROGENASE IN COMPLEX WITH NADP+ AND THE INHIBITOR 5S-ISOXAZOLINE
分子名称: (2S,5',S)-2-AMINO-3-(3-CARBOXY-2-ISOXAZOLIN-5-YL)PROPANOIC ACID, DIAMINOPIMELIC ACID DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Scapin, G, Cirilli, M, Reddy, S.G, Gao, Y, Vederas, J.C, Blanchard, J.S.
登録日1997-12-29
公開日1998-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate and inhibitor binding sites in Corynebacterium glutamicum diaminopimelate dehydrogenase.
Biochemistry, 37, 1998
3DAH
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BU of 3dah by Molmil
2.3 A crystal structure of ribose-phosphate pyrophosphokinase from Burkholderia pseudomallei
分子名称: ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, Ribose-phosphate pyrophosphokinase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-05-29
公開日2008-06-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
1MRR
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BU of 1mrr by Molmil
SUBSTITUTION OF MANGANESE FOR IRON IN RIBONUCLEOTIDE REDUCTASE FROM ESCHERICHIA COLI. SPECTROSCOPIC AND CRYSTALLOGRAPHIC CHARACTERIZATION
分子名称: MANGANESE (II) ION, MERCURY (II) ION, RIBONUCLEOTIDE REDUCTASE R1 PROTEIN
著者Eklund, H, Nordlund, P.
登録日1992-07-28
公開日1994-01-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Substitution of manganese for iron in ribonucleotide reductase from Escherichia coli. Spectroscopic and crystallographic characterization.
J.Biol.Chem., 267, 1992
5E6I
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BU of 5e6i by Molmil
Crystal structure of TCR PF8 in complex with flu MP(58-66) epitope presented by HLA-A2
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Gao, M, Mariuzza, R.
登録日2015-10-09
公開日2016-10-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal structure of TCR PF8 in complex with flu MP(58-66) epitope presented by HLA-A2
To Be Published
3D9Z
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BU of 3d9z by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-05-28
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DCS
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BU of 3dcs by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-04
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
4Q1B
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BU of 4q1b by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 7 {N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide}
分子名称: Deoxycytidine kinase, N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
3DK8
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BU of 3dk8 by Molmil
Catalytic cycle of human glutathione reductase near 1 A resolution
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, GLYCEROL, ...
著者Berkholz, D.S, Faber, H.R, Savvides, S.N, Karplus, P.A.
登録日2008-06-24
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Catalytic cycle of human glutathione reductase near 1 A resolution.
J.Mol.Biol., 382, 2008
8B9X
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BU of 8b9x by Molmil
Chimeric protein of human UFM1 E3 ligase, UFL1, and DDRGK1
分子名称: CHLORIDE ION, DDRGK domain-containing protein 1,E3 UFM1-protein ligase 1
著者Wiener, R, Isupov, M, banerjee, S.
登録日2022-10-10
公開日2023-10-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.066 Å)
主引用文献Structural study of UFL1-UFC1 interaction uncovers the role of UFL1 N-terminal helix in ufmylation.
Embo Rep., 24, 2023
3D8X
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Crystal Structure of Saccharomyces cerevisiae NDPPH Dependent Thioredoxin Reductase 1
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1
著者Zhang, Z.Y, Bao, R, Yu, J, Chen, Y.X, Zhou, C.-Z.
登録日2008-05-26
公開日2008-12-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Saccharomyces cerevisiae cytoplasmic thioredoxin reductase Trr1 reveals the structural basis for species-specific recognition of thioredoxin
Biochim.Biophys.Acta, 1794, 2009

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