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5CCQ
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Human Cyclophilin D Complexed with Inhibitor
分子名称: FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-02
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor
To Be Published
3K6O
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Crystal structure of protein of unknown function DUF1344 (YP_001299214.1) from Bacteroides vulgatus ATCC 8482 at 2.00 A resolution
分子名称: SULFATE ION, TETRAETHYLENE GLYCOL, uncharacterized protein DUF1344
著者Joint Center for Structural Genomics (JCSG)
登録日2009-10-09
公開日2009-11-03
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of protein of unknown function DUF1344 (YP_001299214.1) from Bacteroides vulgatus ATCC 8482 at 2.00 A resolution
To be published
3NQO
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Crystal structure of a MarR family transcriptional regulator (CD1569) from Clostridium difficile 630 at 2.20 A resolution
分子名称: GLYCEROL, MarR-family transcriptional regulator, SODIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-06-29
公開日2010-07-21
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a MarR family transcriptional regulator (CD1569) from Clostridium difficile 630 at 2.20 A resolution
To be published
5F7Q
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ROK repressor Lmo0178 from Listeria monocytogenes bound to operator
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Light, S.H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-12-08
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure to function of an alpha-glucan metabolic pathway that promotes Listeria monocytogenes pathogenesis.
Nat Microbiol, 2, 2016
6F4Z
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2'F-araG modified quadruplex with flipped G-tract and central tetrad
分子名称: DNA (5'-D(*GP*GP*GP*AP*TP*GP*GP*GP*AP*CP*AP*CP*AP*GP*(GFL)P*GP*GP*AP*CP*GP*GP*G)-3')
著者Dickerhoff, J, Weisz, K.
登録日2017-11-30
公開日2018-04-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Fluorine-Mediated Editing of a G-Quadruplex Folding Pathway.
Chembiochem, 19, 2018
7KOU
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1.83 Angstroms Resolution Crystal Structure of Putative Pterin Binding Protein PruR (Atu3496) from Agrobacterium fabrum str. C58
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Pterin Binding Protein, ...
著者Minasov, G, Shuvalova, L, Dubrovska, I, Pshenychnyi, S, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-11-10
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献1.83 Angstroms Resolution Crystal Structure of Putative Pterin Binding Protein PruR (Atu3496) from Agrobacterium fabrum str. C58.
To Be Published
8AUC
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BU of 8auc by Molmil
Structure of peptidoglycan hydrolase Cg1735 from Corynebacterium glutamicum, trigonal crystal form
分子名称: Cell wall-associated hydrolases (Invasion-associated proteins), TETRACHLOROPLATINATE(II)
著者Gaday, Q, Wehenkel, A.M, Alzari, P.M, Legrand, P.
登録日2022-08-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales.
Proc.Natl.Acad.Sci.USA, 119, 2022
3NOJ
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The structure of HMG/CHA aldolase from the protocatechuate degradation pathway of Pseudomonas putida
分子名称: 4-carboxy-4-hydroxy-2-oxoadipate aldolase/oxaloacetate decarboxylase, MAGNESIUM ION, PYRUVIC ACID, ...
著者Kimber, M.S, Wang, W, Mazurkewich, S, Seah, S.Y.K.
登録日2010-06-25
公開日2010-09-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural and Kinetic Characterization of 4-Hydroxy-4-methyl-2-oxoglutarate/4-Carboxy-4-hydroxy-2-oxoadipate Aldolase, a Protocatechuate Degradation Enzyme Evolutionarily Convergent with the HpaI and DmpG Pyruvate Aldolases.
J.Biol.Chem., 285, 2010
6MCP
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L. pneumophila effector kinase LegK7 (AMP-PNP bound) in complex with human MOB1A
分子名称: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, LegK7, ...
著者Beyrakhova, K.A, Xu, C, Boniecki, M.T, Cygler, M.
登録日2018-09-01
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献TheLegionellakinase LegK7 exploits the Hippo pathway scaffold protein MOB1A for allostery and substrate phosphorylation.
Proc.Natl.Acad.Sci.USA, 117, 2020
6FIW
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BU of 6fiw by Molmil
Human cytosolic 5'-nucleotidase II co-crystallized with 10mM Sodium ((4-(3'-((7H-purin-6-yl)carbamoyl)-[1,1'-biphenyl]-3-yl)-1H-imidazol-1-yl) methyl) phosphonate
分子名称: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
著者Aghajari, N, Preeti, P.
登録日2018-01-19
公開日2019-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
7LA6
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THE STRUCTURE OF A SENSOR DOMAIN OF A HISTIDINE KINASE (VxrA) FROM VIBRIO CHOLERAE O1 BIOVAR ELTOR STR. N16961, N239 deletion mutant
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
著者Tan, K, Wu, R, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-01-05
公開日2021-01-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae - A Hairpin-swapped Dimer and its Conformational Change.
J.Bacteriol., 203, 2021
8AWZ
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BU of 8awz by Molmil
Crystal structure of Trametes versicolor glutathione transferase Omega 3S in complex with dinitrosyl glutathionyl iron complex (DNGIC)
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
著者Schwartz, M, Didierjean, C.
登録日2022-08-30
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Structural insights into the interactions of glutathione transferases with a nitric oxide carrier and sodium nitroprusside.
Biochem.Biophys.Res.Commun., 649, 2023
7WH5
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BU of 7wh5 by Molmil
Crystal structure of human ClpP in complex with ZG180
分子名称: (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
著者Wei, B.Y, Gan, J.H, Yang, C.-G.
登録日2021-12-29
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
7LKX
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1.60 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3e
分子名称: (1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ...
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C.
登録日2021-02-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
7LKS
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1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2f
分子名称: (1R,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ...
著者Kashipathy, M.M, Lovell, S, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C.
登録日2021-02-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
7LKT
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1.50 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2k
分子名称: (1R,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ...
著者Kashipathy, M.M, Lovell, S, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C.
登録日2021-02-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
7LKR
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1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2a
分子名称: (1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1R,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, ...
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C.
登録日2021-02-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
8AU8
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Xenobiotic reductase A from P. putida in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUM
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OPR3 Y190F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
分子名称: 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
7WLM
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The Cryo-EM structure of siphonaxanthin chlorophyll a/b type light-harvesting complex II
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CHLOROPHYLL A, ...
著者Seki, S, Nakaniwa, T, Castro-Hartmann, P, Sader, K, Kawamoto, A, Tanaka, H, Qian, P, Kurisu, G, Fujii, R.
登録日2022-01-13
公開日2022-11-23
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural insights into blue-green light utilization by marine green algal light harvesting complex II at 2.78 angstrom.
Bba Adv, 2, 2022
5D2E
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BU of 5d2e by Molmil
crystal structure of an N-terminal ketoreductase from macrolactin assembly line
分子名称: GLYCEROL, MlnE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Keatinge-clay, A.T, Zeng, J.
登録日2015-08-05
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The crystal structure of an N-terminal ketoreductase from macrolactin polyketide synthase
To Be Published
6F9R
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BU of 6f9r by Molmil
Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat-Asp.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2017-12-15
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity.
FEBS J., 285, 2018
7JU8
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X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine
分子名称: 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A.
登録日2020-08-19
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Indole Inhibitors of MMP-13 for Arthritic Disorders
Acs Omega, 6, 2021
7JSD
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Hydroxylase homolog of BesD with Fe(II), alpha-ketoglutarate, and lysine
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, LYSINE, ...
著者Kissman, E.N, Neugebauer, M.E, Chang, M.C.Y.
登録日2020-08-14
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reaction pathway engineering converts a radical hydroxylase into a halogenase.
Nat.Chem.Biol., 18, 2022
3NWP
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Crystal structure of a 6-phosphogluconolactonase (Sbal_2240) from Shewanella baltica OS155 at 1.40 A resolution
分子名称: 6-phosphogluconolactonase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-07-09
公開日2010-07-28
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of a 6-phosphogluconolactonase (Sbal_2240) from Shewanella baltica OS155 at 1.40 A resolution
To be published

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