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1ODD
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BU of 1odd by Molmil
OMPR C-TERMINAL DOMAIN (OMPR-C) FROM ESCHERICHIA COLI
Descriptor: TRANSCRIPTIONAL REGULATORY PROTEIN OMPR
Authors:Kondou, H, Nakagawa, A, Tanaka, I.
Deposit date:1996-10-31
Release date:1997-05-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Escherichia coli positive regulator OmpR has a large loop structure at the putative RNA polymerase interaction site.
Nat.Struct.Biol., 4, 1997
3VI2
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BU of 3vi2 by Molmil
Crystal Structure Analysis of Plasmodium falciparum OMP Decarboxylase in complex with inhibitor HMOA
Descriptor: 4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid, Orotidine 5'-phosphate decarboxylase, SODIUM ION
Authors:Takashima, Y, Mizohata, E, Krungkrai, S.R, Matsumura, H, Krungkrai, J, Horii, T, Inoue, T.
Deposit date:2011-09-16
Release date:2012-08-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The in silico screening and X-ray structure analysis of the inhibitor complex of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase
J.Biochem., 152, 2012
4XFP
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BU of 4xfp by Molmil
Crystal Structure of Highly Active Mutant of Bacillus sp. TB-90 Urate Oxidase
Descriptor: 8-AZAXANTHINE, CHLORIDE ION, SULFATE ION, ...
Authors:Hibi, T, Hayashi, Y, Kawamura, A, Itoh, T.
Deposit date:2014-12-28
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Glycine Substitution of Surface Proline 287 Involves Entropic Enhancement of Bacillus sp. TB-90 Uricase Activity
To be published
6LM0
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BU of 6lm0 by Molmil
The crystal structure of cyanorhodopsin (CyR) N2098R from cyanobacteria Calothrix sp. NIES-2098
Descriptor: DECANE, HEXANE, N-OCTANE, ...
Authors:Hosaka, T, Kimura-Someya, T, Shirouzu, M.
Deposit date:2019-12-24
Release date:2020-10-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A unique clade of light-driven proton-pumping rhodopsins evolved in the cyanobacterial lineage.
Sci Rep, 10, 2020
1FLE
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BU of 1fle by Molmil
CRYSTAL STRUCTURE OF ELAFIN COMPLEXED WITH PORCINE PANCREATIC ELASTASE
Descriptor: ELAFIN, ELASTASE
Authors:Tsunemi, M, Matsuura, Y, Sakakibara, S, Katsube, Y.
Deposit date:1996-07-04
Release date:1997-01-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of an elastase-specific inhibitor elafin complexed with porcine pancreatic elastase determined at 1.9 A resolution.
Biochemistry, 35, 1996
2LWI
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BU of 2lwi by Molmil
Solution structure of H-RasT35S mutant protein in complex with Kobe2601
Descriptor: 2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide, GTPase HRas, MAGNESIUM ION, ...
Authors:Araki, M, Tamura, A, Shima, F, Kataoka, T.
Deposit date:2012-08-01
Release date:2013-05-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interaction.
Proc.Natl.Acad.Sci.USA, 110, 2013
6LYC
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BU of 6lyc by Molmil
Crystal structure of the NOD SIRPa complex with D4-2
Descriptor: ACETIC ACID, D4-2, SIRPa of the NOD mouse strain
Authors:Murata, Y, Matsuda, M, Nakagawa, A, Matozaki, T.
Deposit date:2020-02-14
Release date:2020-07-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Macrocyclic Peptide-Mediated Blockade of the CD47-SIRP alpha Interaction as a Potential Cancer Immunotherapy.
Cell Chem Biol, 27, 2020
2RLT
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BU of 2rlt by Molmil
phosphorylated CPI-17 (22-120)
Descriptor: Protein phosphatase 1 regulatory subunit 14A
Authors:Eto, M.
Deposit date:2007-08-11
Release date:2008-07-15
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Phosphorylation-induced conformational switching of CPI-17 produces a potent myosin phosphatase inhibitor.
Structure, 15, 2007
1BDM
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BU of 1bdm by Molmil
THE STRUCTURE AT 1.8 ANGSTROMS RESOLUTION OF A SINGLE SITE MUTANT (T189I) OF MALATE DEHYDROGENASE FROM THERMUS FLAVUS WITH INCREASED ENZYMATIC ACTIVITY
Descriptor: BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MALATE DEHYDROGENASE
Authors:Kelly, C.A, Birktoft, J.J.
Deposit date:1993-02-16
Release date:1994-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Determinants of protein thermostability observed in the 1.9-A crystal structure of malate dehydrogenase from the thermophilic bacterium Thermus flavus.
Biochemistry, 32, 1993
1MKW
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BU of 1mkw by Molmil
THE CO-CRYSTAL STRUCTURE OF UNLIGANDED BOVINE ALPHA-THROMBIN AND PRETHROMBIN-2: MOVEMENT OF THE YPPW SEGMENT AND ACTIVE SITE RESIDUES UPON LIGAND BINDING
Descriptor: ALPHA-THROMBIN, PRETHROMBIN-2
Authors:Malkowski, M.G, Edwards, B.F.P.
Deposit date:1997-03-13
Release date:1997-07-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The co-crystal structure of unliganded bovine alpha-thrombin and prethrombin-2: movement of the Tyr-Pro-Pro-Trp segment and active site residues upon ligand binding.
Protein Sci., 6, 1997
4PPH
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BU of 4pph by Molmil
Crystal structure of conglutin gamma, a unique basic 7S globulin from lupine seeds
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Czubinski, J, Barciszewski, J, Gilski, M, Lampart-Szczapa, E, Jaskolski, M.
Deposit date:2014-02-27
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Structure of gamma-conglutin: insight into the quaternary structure of 7S basic globulins from legumes.
Acta Crystallogr.,Sect.D, 71, 2015
1BMD
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BU of 1bmd by Molmil
DETERMINANTS OF PROTEIN THERMOSTABILITY OBSERVED IN THE 1.9 ANGSTROMS CRYSTAL STRUCTURE OF MALATE DEHYDROGENASE FROM THE THERMOPHILIC BACTERIUM THERMUS FLAVUS
Descriptor: MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kelly, C.A, Birktoft, J.J.
Deposit date:1992-11-10
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Determinants of protein thermostability observed in the 1.9-A crystal structure of malate dehydrogenase from the thermophilic bacterium Thermus flavus.
Biochemistry, 32, 1993
7SQI
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BU of 7sqi by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C14-crypto Acyl Carrier Protein, AcpP
Descriptor: Acyl carrier protein, Beta-ketoacyl-ACP synthase I, N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Chen, A, Mindrebo, J.T, Davis, T.D, Noel, J.P, Burkart, M.D.
Deposit date:2021-11-05
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states.
Acta Crystallogr D Struct Biol, 78, 2022
7SZ9
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BU of 7sz9 by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16:1-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide, ...
Authors:Mindrebo, J.T, Chen, A, Noel, J.P, Burkart, M.D.
Deposit date:2021-11-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states.
Acta Crystallogr D Struct Biol, 78, 2022
6LM1
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BU of 6lm1 by Molmil
The crystal structure of cyanorhodopsin (CyR) N4075R from cyanobacteria Tolypothrix sp. NIES-4075
Descriptor: DECANE, DODECANE, HEXADECANE, ...
Authors:Hosaka, T, Kimura-Someya, T, Shirouzu, M.
Deposit date:2019-12-24
Release date:2020-10-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A unique clade of light-driven proton-pumping rhodopsins evolved in the cyanobacterial lineage.
Sci Rep, 10, 2020
1HBT
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BU of 1hbt by Molmil
Human alpha-thrombin complexed with a peptidyl pyridinium methyl ketone containing bivalent inhibitor
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), P596 Inhibitor peptide
Authors:Rehse, P.H, Cygler, M.
Deposit date:1995-04-06
Release date:1995-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a peptidyl pyridinium methyl ketone inhibitor with thrombin.
Biochemistry, 34, 1995
8X6R
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BU of 8x6r by Molmil
KRasG12C in complex with inhibitor
Descriptor: 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Amano, Y, Tateishi, Y.
Deposit date:2023-11-21
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors.
Bioorg.Med.Chem., 98, 2023
5B3T
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BU of 5b3t by Molmil
Crystal structure of apo-form biliverdin reductase from Synechocystis sp. PCC 6803
Descriptor: Biliverdin reductase, PHOSPHATE ION
Authors:Takao, H, Wada, K.
Deposit date:2016-03-12
Release date:2017-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
5B3V
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BU of 5b3v by Molmil
Crystal structure of biliverdin reductase in complex with biliverdin and NADP+ from Synechocystis sp. PCC 6803
Descriptor: BILIVERDINE IX ALPHA, Biliverdin reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Takao, H, Wada, K.
Deposit date:2016-03-13
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
5B3U
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BU of 5b3u by Molmil
Crystal structure of biliverdin reductase in complex with NADP+ from Synechocystis sp. PCC 6803
Descriptor: Biliverdin reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION
Authors:Takao, H, Wada, K.
Deposit date:2016-03-13
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
1IDY
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BU of 1idy by Molmil
STRUCTURE OF MYB TRANSFORMING PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: MOUSE C-MYB DNA-BINDING DOMAIN REPEAT 3
Authors:Furukawa, K, Oda, M, Nakamura, H.
Deposit date:1996-08-15
Release date:1996-12-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A small engineered protein lacks structural uniqueness by increasing the side-chain conformational entropy.
Proc.Natl.Acad.Sci.USA, 93, 1996
8JS5
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BU of 8js5 by Molmil
Dimeric PAS domains of oxygen sensor FixL with ferric unliganded heme
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL
Authors:Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y.
Deposit date:2023-06-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
8JS7
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BU of 8js7 by Molmil
Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme
Descriptor: GLYCEROL, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y.
Deposit date:2023-06-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
8JS6
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BU of 8js6 by Molmil
Dimeric PAS domains of oxygen sensor FixL in complex with cyanide-bound ferric heme
Descriptor: CYANIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y.
Deposit date:2023-06-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
3AM2
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BU of 3am2 by Molmil
Clostridium perfringens enterotoxin
Descriptor: GLYCEROL, Heat-labile enterotoxin B chain, UNKNOWN ATOM OR ION
Authors:Kitadokoro, K, Nishimura, K, Kamitani, S, Kimura, J, Fukui, A, Abe, H, Horiguchi, Y.
Deposit date:2010-08-12
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal Structure of Clostridium perfringens Enterotoxin Displays Features of {beta}-Pore-forming Toxins
J.Biol.Chem., 286, 2011

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