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6J2P
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BU of 6j2p by Molmil
Crystal structure of Saccharomyces cerevisiae Spp1 in complex with H3K4me3
Descriptor: COMPASS component SPP1, Histone H3, ZINC ION
Authors:He, C, Li, F.
Deposit date:2019-01-02
Release date:2019-09-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for histone H3K4me3 recognition by the N-terminal domain of the PHD finger protein Spp1.
Biochem.J., 476, 2019
6J7J
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BU of 6j7j by Molmil
Crystal structure of Pseudomonas aeruginosa Earp
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Pseudomonas aeruginosa Earp
Authors:He, C, Li, F.
Deposit date:2019-01-18
Release date:2019-05-15
Last modified:2019-06-26
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P.
J.Bacteriol., 201, 2019
6J7K
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BU of 6j7k by Molmil
Crystal structure of Pseudomonas aeruginosa Earp in complex with TDP-Rha
Descriptor: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Pseudomonas aeruginosa Earp
Authors:He, C, Li, F.
Deposit date:2019-01-18
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P.
J.Bacteriol., 201, 2019
6J7L
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BU of 6j7l by Molmil
Crystal structure of Pseudomonas aeruginosa Earp in complex with TDP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Pseudomonas aeruginosa Earp, THYMIDINE-5'-DIPHOSPHATE
Authors:He, C, Li, F.
Deposit date:2019-01-18
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P.
J.Bacteriol., 201, 2019
6J7M
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BU of 6j7m by Molmil
Complex structure of the Pseudomonas aeruginosa rhamnosyltransferase EarP with the acceptor elongation factor EF-P
Descriptor: Earp, Elongation factor P, GLYCEROL, ...
Authors:He, C, Li, F.
Deposit date:2019-01-18
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P.
J.Bacteriol., 201, 2019
6J2W
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BU of 6j2w by Molmil
The structure of OBA3-OTA complex
Descriptor: DNA (5'-D(*CP*GP*GP*GP*GP*CP*GP*AP*AP*GP*CP*GP*GP*GP*TP*CP*CP*CP*G)-3'), N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine
Authors:Xu, G.H, Li, C.G.
Deposit date:2019-01-03
Release date:2019-02-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure-guided post-SELEX optimization of an ochratoxin A aptamer.
Nucleic Acids Res., 47, 2019
3HHK
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BU of 3hhk by Molmil
HCV NS5b polymerase complex with a substituted benzothiadizine
Descriptor: 2-({(3R)-3-[(3S)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide, HCV NS5 polymerase
Authors:Concha, N.O, Singh, O.
Deposit date:2009-05-15
Release date:2009-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
4BKU
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BU of 4bku by Molmil
Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]
Authors:Hirschbeck, M.W, Liu, N, Neckles, C, Tonge, P.J, Kisker, C.
Deposit date:2013-04-29
Release date:2014-04-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
5F95
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BU of 5f95 by Molmil
Crystal structure of GSK3b in complex with Compound 18: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
Descriptor: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M.
Deposit date:2015-12-09
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
5F94
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BU of 5f94 by Molmil
Crystal structure of GSK3b in complex with Compound 15: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
Descriptor: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M.
Deposit date:2015-12-09
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
5G2O
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BU of 5g2o by Molmil
Yersinia pestis FabV variant T276A
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
Deposit date:2016-04-11
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
8T05
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BU of 8t05 by Molmil
Structure of Ciona Myomaker bound to Fab1A1
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1A1 Fab heavy chain, 1A1 Fab light chain, ...
Authors:Long, T, Li, X.
Deposit date:2023-05-31
Release date:2023-09-27
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Cryo-EM structures of Myomaker reveal a molecular basis for myoblast fusion.
Nat.Struct.Mol.Biol., 30, 2023
8T03
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BU of 8t03 by Molmil
Structure of mouse Myomaker bound to Fab18G7 in detergent
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 18G7 Fab heavy chain, 18G7 Fab light chain, ...
Authors:Long, T, Li, X.
Deposit date:2023-05-31
Release date:2023-09-27
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Cryo-EM structures of Myomaker reveal a molecular basis for myoblast fusion.
Nat.Struct.Mol.Biol., 30, 2023
8T07
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BU of 8t07 by Molmil
Structure of mouse Myomaker mutant-Y118A bound to Fab18G7
Descriptor: 18G7 Fab heavy chain, 18G7 Fab light chain, Protein myomaker, ...
Authors:Long, T, Li, X.
Deposit date:2023-05-31
Release date:2023-09-27
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Cryo-EM structures of Myomaker reveal a molecular basis for myoblast fusion.
Nat.Struct.Mol.Biol., 30, 2023
8T04
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BU of 8t04 by Molmil
Structure of mouse Myomaker bound to Fab18G7 in nanodiscs
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 18G7 Fab heavy chain, 18G7 Fab light chain, ...
Authors:Long, T, Li, X.
Deposit date:2023-05-31
Release date:2023-09-27
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Cryo-EM structures of Myomaker reveal a molecular basis for myoblast fusion.
Nat.Struct.Mol.Biol., 30, 2023
8T06
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BU of 8t06 by Molmil
Structure of mouse Myomaker mutant-R107A bound to Fab18G7
Descriptor: 18G7 Fab heavy chain, 18G7 Fab light chain, Protein myomaker, ...
Authors:Long, T, Li, X.
Deposit date:2023-05-31
Release date:2023-09-27
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cryo-EM structures of Myomaker reveal a molecular basis for myoblast fusion.
Nat.Struct.Mol.Biol., 30, 2023
8T3P
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BU of 8t3p by Molmil
Crystal structure of MonC1 (a flavin-dependent monooxygenase)
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MonCI
Authors:Wang, Q, Mathews, I.I, Kim, C.Y.
Deposit date:2023-06-07
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Triepoxide formation by a flavin-dependent monooxygenase in monensin biosynthesis.
Nat Commun, 14, 2023
8HL8
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BU of 8hl8 by Molmil
Crystal structrue of MtdL R257K mutant
Descriptor: MANGANESE (II) ION, Transglycosylse
Authors:Li, F.D, He, C.
Deposit date:2022-11-29
Release date:2023-03-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
2FVC
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BU of 2fvc by Molmil
Crystal structure of NS5B BK strain (delta 24) in complex with a 3-(1,1-Dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinone
Descriptor: 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one, polyprotein
Authors:Concha, N.O, Wonacott, A, Singh, O.
Deposit date:2006-01-30
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-(1,1-dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones, potent inhibitors of hepatitis C virus RNA-dependent RNA polymerase.
J.Med.Chem., 49, 2006
5V82
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BU of 5v82 by Molmil
PIM1 kinase in complex with Cpd17 (1-(6-(4,4-difluoropiperidin-3-yl)pyridin-2-yl)-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine)
Descriptor: 1-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H.
Deposit date:2017-03-21
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.
J. Med. Chem., 60, 2017
5V80
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BU of 5v80 by Molmil
PIM1 kinase in complex with Cpd1 (1-methyl-4-(3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one)
Descriptor: 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H.
Deposit date:2017-03-21
Release date:2018-04-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.
J. Med. Chem., 60, 2017
4BKQ
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BU of 4bkq by Molmil
Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPZ3_3519
Authors:Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C.
Deposit date:2013-04-29
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
3ZU3
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BU of 3zu3 by Molmil
Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH (MR, cleaved Histag)
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ...
Authors:Hirschbeck, M.W, Kuper, J, Kisker, C.
Deposit date:2011-07-13
Release date:2012-01-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
3ZU5
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BU of 3zu5 by Molmil
Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH and the 2-pyridone inhibitor PT173
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ...
Authors:Hirschbeck, M.W, Kuper, J, Tonge, P.J, Kisker, C.
Deposit date:2011-07-13
Release date:2012-01-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
3ZU4
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BU of 3zu4 by Molmil
Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH and the 2-pyridone inhibitor PT172
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(2-CHLOROBENZYL)-4-HEXYLPYRIDIN-2(1H)-ONE, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ...
Authors:Hirschbeck, M.W, Kuper, J, Tonge, P.J, Kisker, C.
Deposit date:2011-07-13
Release date:2012-01-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012

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