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4YTC
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BU of 4ytc by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
Descriptor: N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
2ORD
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BU of 2ord by Molmil
Crystal structure of Acetylornithine aminotransferase (EC 2.6.1.11) (ACOAT) (TM1785) from Thermotoga maritima at 1.40 A resolution
Descriptor: Acetylornithine aminotransferase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-02-02
Release date:2007-02-13
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of Acetylornithine aminotransferase (EC 2.6.1.11) (ACOAT) (TM1785) from Thermotoga maritima at 1.40 A resolution
To be published
4YTH
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BU of 4yth by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide, Tyrosine-protein kinase JAK2
Authors:Ledeboer, M.W, Zuccola, H.J.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
6EWJ
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BU of 6ewj by Molmil
Putative sugar aminotransferase Spr1654 from Streptococcus pneumoniae, apo-form
Descriptor: Putative capsular polysaccharide biosynthesis protein
Authors:Achour, A, Sun, R, Sandalova, T, Han, X.
Deposit date:2017-11-04
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional studies of Spr1654: an essential aminotransferase in teichoic acid biosynthesis inStreptococcus pneumoniae.
Open Biol, 8, 2018
5EQR
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BU of 5eqr by Molmil
Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with danoprevir
Descriptor: (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, SULFATE ION, ...
Authors:Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A.
Deposit date:2015-11-13
Release date:2016-11-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease.
J.Am.Chem.Soc., 138, 2016
6EWR
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BU of 6ewr by Molmil
Putative sugar aminotransferase Spr1654 from Streptococcus pneumoniae, PMP-form
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Putative capsular polysaccharide biosynthesis protein
Authors:Achour, A, Sun, R, Sandalova, T, Han, X.
Deposit date:2017-11-06
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional studies of Spr1654: an essential aminotransferase in teichoic acid biosynthesis inStreptococcus pneumoniae.
Open Biol, 8, 2018
3SGU
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BU of 3sgu by Molmil
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase covalently modified by 5-fluoro-6-iodo-UMP
Descriptor: 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase
Authors:Liu, Y, Kotra, L.P, Pai, E.F.
Deposit date:2011-06-15
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase covalently modified by 5-fluoro-6-iodo-UMP
To be Published
1FEA
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BU of 1fea by Molmil
UNLIGANDED CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 2.2 ANGSTROM RESOLUTION
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE REDUCTASE
Authors:Strickland, C, Karplus, P.
Deposit date:1995-07-12
Release date:1997-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crithidia Fasciculata Trypanothione Reductase at 1.70 A Resolution
To be Published
5EQS
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BU of 5eqs by Molmil
Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Asunaprevir
Descriptor: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, NS3 protease, ZINC ION
Authors:Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A.
Deposit date:2015-11-13
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease.
J.Am.Chem.Soc., 138, 2016
3THQ
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BU of 3thq by Molmil
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 6-amino-UMP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-AMINOURIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase
Authors:Liu, Y, Kotra, L.P, Pai, E.F.
Deposit date:2011-08-19
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 6-amino-UMP
To be Published
3SSJ
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BU of 3ssj by Molmil
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP
Descriptor: 6-amino-5-fluorouridine 5'-(dihydrogen phosphate), GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Liu, Y, Kotra, L.P, Pai, E.F.
Deposit date:2011-07-08
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP
To be Published
5ESB
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BU of 5esb by Molmil
Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Vaniprevir
Descriptor: (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, SULFATE ION, ...
Authors:Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A.
Deposit date:2015-11-16
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease.
J.Am.Chem.Soc., 138, 2016
5YHV
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BU of 5yhv by Molmil
Crystal structure of an aminotransferase from Mycobacterium tuberculosis
Descriptor: 2-OXOGLUTARIC ACID, Aminotransferase, GLUTAMIC ACID, ...
Authors:Saroj, D.C, Biswal, B.K.
Deposit date:2017-09-30
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of an aminotransferase from Mycobacterium tuberculosis
To Be Published
6YK4
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BU of 6yk4 by Molmil
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound ( S) - 1- [2'-Amino-2'-carboxyethyl]-6-methyl-5 ,7- dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 1.00A
Descriptor: (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2020-04-05
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.999 Å)
Cite:Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
1FEC
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BU of 1fec by Molmil
UNLIGANDED CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 1.7 ANGSTROM RESOLUTION
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE REDUCTASE
Authors:Strickland, C, Karplus, P.
Deposit date:1995-07-12
Release date:1997-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crithidia Fasciculata Trypanothione Reductase at 1.70 A Resolution
To be Published
3QM2
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BU of 3qm2 by Molmil
2.25 Angstrom Crystal Structure of Phosphoserine Aminotransferase (SerC) from Salmonella enterica subsp. enterica serovar Typhimurium
Descriptor: CALCIUM ION, Phosphoserine aminotransferase
Authors:Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-02-03
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:2.25 Angstrom Crystal Structure of Phosphoserine Aminotransferase (SerC) from Salmonella enterica subsp. enterica serovar Typhimurium.
TO BE PUBLISHED
4E3R
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BU of 4e3r by Molmil
PLP-bound aminotransferase mutant crystal structure from Vibrio fluvialis
Descriptor: Pyruvate transaminase, SODIUM ION, SULFATE ION
Authors:Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W.
Deposit date:2012-03-10
Release date:2012-10-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
3P1T
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BU of 3p1t by Molmil
Crystal structure of a putative aminotransferase (BPSL1724) from Burkholderia pseudomallei K96243 at 2.60 A resolution
Descriptor: 1,2-ETHANEDIOL, L(+)-TARTARIC ACID, Putative histidinol-phosphate aminotransferase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-09-30
Release date:2010-10-20
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a putative aminotransferase (BPSL1724) from Burkholderia pseudomallei K96243 at 2.60 A resolution
To be published
6YK3
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BU of 6yk3 by Molmil
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound ( S) - 1- [2'-Amino-2'-carboxyethyl]-5 ,7- dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 1.20A
Descriptor: (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione, AMMONIUM ION, CHLORIDE ION, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2020-04-05
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
8SC3
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BU of 8sc3 by Molmil
Human OCT1 bound to fenoterol in inward-open conformation
Descriptor: Fenoterol, Solute carrier family 22 member 1
Authors:Zeng, Y.C, Sobti, M, Stewart, A.G.
Deposit date:2023-04-04
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structural basis of promiscuous substrate transport by Organic Cation Transporter 1.
Nat Commun, 14, 2023
6G1F
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BU of 6g1f by Molmil
Crystal structure of D-phenylglycine aninotransferase (D-PhgAT) from Pseudomonas stutzeri with PLP internal aldimine
Descriptor: D-phenylglycine aminotransferase
Authors:Serpico, A, Marles-Wright, J, Campopiano, D.J.
Deposit date:2018-03-21
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:D-Phenylglycine aminotransferase (D-PhgAT) – substrate scope and structural insights of a stereo-inverting biocatalyst used in the preparation of aromatic amino acids
Catalysis Science And Technology, 2020
8CJH
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BU of 8cjh by Molmil
Architecture of a PKS-NRPS hybrid megaenzyme involved in the biosynthesis of the genotoxin colibactin
Descriptor: Colibactin hybrid non-ribosomal peptide synthetase/type I polyketide synthase ClbK
Authors:Bonhomme, S, Dessen, A, Macheboeuf, P.
Deposit date:2023-02-13
Release date:2023-04-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.982 Å)
Cite:Architecture of a PKS-NRPS hybrid megaenzyme involved in the biosynthesis of the genotoxin colibactin.
Structure, 31, 2023
4YTF
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BU of 4ytf by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2
Authors:Farmer, L, Ledeboer, M.W, Zuccola, H.J.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
5DWM
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BU of 5dwm by Molmil
Crystal structure of Phosphinothricin N-acetyltransferase from Brucella ovis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, IMIDAZOLE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-09-22
Release date:2015-12-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of Phosphinothricin N-acetyltransferase from Brucella ovis
to be published
1FEB
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BU of 1feb by Molmil
UNLIGANDED CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 2.0 ANGSTROM RESOLUTION
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE REDUCTASE
Authors:Strickland, C, Karplus, P.
Deposit date:1995-07-12
Release date:1997-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crithidia Fasciculata Trypanothione Reductase at 1.70 A Resolution
To be Published

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數據於2024-10-16公開中

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