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3K5K
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BU of 3k5k by Molmil
Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a
Descriptor: 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ...
Authors:Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2009-10-07
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a.
J.Med.Chem., 52, 2009
8SNX
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BU of 8snx by Molmil
Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the leader promoter
Descriptor: Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*GP*CP*GP*U)-3'), RNA-directed RNA polymerase L
Authors:Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B.
Deposit date:2023-04-28
Release date:2023-12-20
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of the promoter-bound respiratory syncytial virus polymerase.
Nature, 625, 2024
8SNY
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BU of 8sny by Molmil
Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the trailer complementary promoter
Descriptor: Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*UP*CP*GP*U)-3'), RNA-directed RNA polymerase L
Authors:Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B.
Deposit date:2023-04-28
Release date:2023-12-20
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Structures of the promoter-bound respiratory syncytial virus polymerase.
Nature, 625, 2024
6Q0D
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BU of 6q0d by Molmil
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
Authors:Dranow, D.M, Davies, D.R.
Deposit date:2019-08-01
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
8FTW
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BU of 8ftw by Molmil
FliT-FliJ fusion complex
Descriptor: Flagellar FliT protein, Flagellar FliJ protein fusion
Authors:Rossi, P, Kalodimos, C.G.
Deposit date:2023-01-13
Release date:2023-07-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Chaperone Recycling in Late-Stage Flagellar Assembly.
J.Mol.Biol., 435, 2023
3TTB
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BU of 3ttb by Molmil
Structure of the Thioalkalivibrio paradoxus cytochrome c nitrite reductase in complex with sulfite
Descriptor: CALCIUM ION, COBALT (II) ION, Eight-heme nitrite reductase, ...
Authors:Polyakov, K.M, Trofimov, A.A, Tikhonova, T.V, Tikhonov, A.V, Dorovatovskii, P.V, Popov, V.O.
Deposit date:2011-09-14
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparative structural and functional analysis of two octaheme nitrite reductases from closely related Thioalkalivibrio species.
Febs J., 279, 2012
7OSL
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BU of 7osl by Molmil
Cryo-EM structure of nonameric EPEC SctV-C
Descriptor: Translocator EscV
Authors:Fahrenkamp, D, Wald, J, Yuan, B, Marlovits, T.C.
Deposit date:2021-06-09
Release date:2021-09-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural Dynamics of the Functional Nonameric Type III Translocase Export Gate.
J.Mol.Biol., 433, 2021
6ZHC
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BU of 6zhc by Molmil
PROTAC6 mediated complex of VHL:EloB:EloC and Bcl-xL
Descriptor: 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1, ...
Authors:Chung, C.
Deposit date:2020-06-22
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Insights into PROTAC-Mediated Degradation of Bcl-xL.
Acs Chem.Biol., 15, 2020
8GR9
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BU of 8gr9 by Molmil
Crystal structure of peroxisomal citrate synthase (Cit2) from Saccharomyces cerevisiae in complex with oxaloacetate and coenzyme-A
Descriptor: CHLORIDE ION, COENZYME A, Citrate synthase, ...
Authors:Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T.
Deposit date:2022-09-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
8GR8
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BU of 8gr8 by Molmil
Crystal structure of peroxisomal citrate synthase (Cit2) from Saccharomycescerevisiae
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Citrate synthase, ...
Authors:Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T.
Deposit date:2022-09-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
8GRE
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BU of 8gre by Molmil
F-box protein in complex with skp1(FL) and substrate
Descriptor: Citrate synthase, E3 ubiquitin ligase complex SCF subunit, F-box protein UCC1, ...
Authors:Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T.
Deposit date:2022-09-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
8GQZ
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BU of 8gqz by Molmil
Crystal structure of mitochondrial citrate synthase (Cit1) from Saccharomyces cerevisiae
Descriptor: ACETATE ION, CHLORIDE ION, Citrate synthase, ...
Authors:Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T.
Deposit date:2022-08-31
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
8GRF
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BU of 8grf by Molmil
Crystal structure of F-box protein in the ternary complex with adaptor protein Skp1(DL) and its substrate
Descriptor: 1,2-ETHANEDIOL, Citrate synthase, E3 ubiquitin ligase complex SCF subunit, ...
Authors:Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T.
Deposit date:2022-09-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
6RLV
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BU of 6rlv by Molmil
Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine
Descriptor: 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, GLYCEROL, MALONATE ION, ...
Authors:Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
Deposit date:2019-05-02
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
1QTR
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BU of 1qtr by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE PROLYL AMINOPEPTIDASE FROM SERRATIA MARCESCENS
Descriptor: PROLYL AMINOPEPTIDASE
Authors:Yoshimoto, T, Kabashima, T, Uchikawa, K, Inoue, T, Tanaka, N.
Deposit date:1999-06-28
Release date:1999-07-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structure of prolyl aminopeptidase from Serratia marcescens.
J.Biochem.(Tokyo), 126, 1999
5W8J
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BU of 5w8j by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29
Descriptor: 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Lukacs, C.M, Moulin, A.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
6RLU
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BU of 6rlu by Molmil
Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine
Descriptor: 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, GLYCEROL, MALONATE ION, ...
Authors:Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
Deposit date:2019-05-02
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6RLT
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BU of 6rlt by Molmil
Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine
Descriptor: 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, GLYCEROL, MALONATE ION, ...
Authors:Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
Deposit date:2019-05-02
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
8FTX
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BU of 8ftx by Molmil
FlgN-FliJ fusion complex
Descriptor: Flagella biosynthesis chaperone FlgN, Flagellar FliJ protein fusion
Authors:Rossi, P, Kalodimos, C.G.
Deposit date:2023-01-13
Release date:2023-07-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Chaperone Recycling in Late-Stage Flagellar Assembly.
J.Mol.Biol., 435, 2023
6Q13
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BU of 6q13 by Molmil
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ...
Authors:Davies, D.R, Dranow, D.M.
Deposit date:2019-08-02
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
3SXQ
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BU of 3sxq by Molmil
Structure of a hexameric multiheme c nitrite reductase from the extremophile bacterium Thiolkalivibrio paradoxus
Descriptor: CALCIUM ION, CHLORIDE ION, COBALT (II) ION, ...
Authors:Polyakov, K.M, Trofimov, A.A, Tikhonova, T.V, Tikhonov, A.V, Boyko, K.M, Popov, V.O.
Deposit date:2011-07-15
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparative structural and functional analysis of two octaheme nitrite reductases from closely related Thioalkalivibrio species.
Febs J., 279, 2012
1V2F
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BU of 1v2f by Molmil
Crystal Structure of T.th HB8 Glutamine Aminotransferase complex with 3-phenylpropionate
Descriptor: Glutamine Aminotransferase, HYDROCINNAMIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Goto, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-10-15
Release date:2004-07-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of glutamine:phenylpyruvate aminotransferase from Thermus thermophilus HB8: induced fit and substrate recognition
J.BIOL.CHEM., 279, 2004
6S30
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BU of 6s30 by Molmil
Crystal Structure of Seryl-tRNA Synthetase from Klebsiella pneumoniae
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Serine--tRNA ligase
Authors:Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V.
Deposit date:2019-06-23
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
1V2E
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BU of 1v2e by Molmil
Crystal Structure of T.th HB8 Glutamine Aminotransferase complex with a-keto-g-methylthiobutyrate
Descriptor: 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, Glutamine Aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Goto, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-10-15
Release date:2004-07-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of glutamine:phenylpyruvate aminotransferase from Thermus thermophilus HB8: induced fit and substrate recognition
J.BIOL.CHEM., 279, 2004
1V2D
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BU of 1v2d by Molmil
Crystal Structure of T.th HB8 Glutamine Aminotransferase
Descriptor: Glutamine Aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Goto, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-10-15
Release date:2004-07-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of glutamine:phenylpyruvate aminotransferase from Thermus thermophilus HB8: induced fit and substrate recognition
J.BIOL.CHEM., 279, 2004

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