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8JYL
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BU of 8jyl by Molmil
Acyl-ACP Synthetase structure bound to C10-AMS
Descriptor: Acyl-acyl carrier protein synthetase, MAGNESIUM ION, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-decanoylsulfamate
Authors:Huang, H, Chang, S, Huang, M, Zhang, H, Zhou, C, Zhang, X, Feng, Y.
Deposit date:2023-07-03
Release date:2024-07-10
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (2.33 Å)
Cite:An inhibitory mechanism of AasS, an exogenous fatty acid scavenger: Implications for re-sensitization of FAS II antimicrobials.
Plos Pathog., 20, 2024
5FTI
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BU of 5fti by Molmil
Crystal structure of the GluA2 K738M-T744K LBD in complex with glutamate (lithium form)
Descriptor: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, GLYCEROL, ...
Authors:Nayeem, N, Green, T.
Deposit date:2016-01-13
Release date:2016-02-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Distinct Structural Pathways Coordinate the Activation of Ampa Receptor-Auxiliary Subunit Complexes.
Neuron, 89, 2016
8ZFK
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BU of 8zfk by Molmil
Caenorhabditis elegans ACR-23 in betaine and monepantel bound state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Betaine receptor acr-23,Soluble cytochrome b562, ...
Authors:Chen, Q.F, Liu, F.L, Li, T.Y, Gong, H.H, Guo, F, Liu, S.
Deposit date:2024-05-08
Release date:2024-07-31
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Structural insights into the molecular effects of the anthelmintics monepantel and betaine on the Caenorhabditis elegans acetylcholine receptor ACR-23.
Embo J., 43, 2024
2R7K
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BU of 2r7k by Molmil
Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with AMPPCP and AICAR
Descriptor: 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, CHLORIDE ION, ...
Authors:Zhang, Y, White, R.H, Ealick, S.E.
Deposit date:2007-09-09
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
6DR2
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BU of 6dr2 by Molmil
Ca2+-bound human type 3 1,4,5-inositol trisphosphate receptor
Descriptor: CALCIUM ION, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION
Authors:Hite, R.K, Paknejad, N.
Deposit date:2018-06-11
Release date:2018-07-18
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.33 Å)
Cite:Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
2R7M
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BU of 2r7m by Molmil
Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with AMP
Descriptor: 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Zhang, Y, White, R.H, Ealick, S.E.
Deposit date:2007-09-09
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
6DA8
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BU of 6da8 by Molmil
Human CYP3A4 bound to an inhibitor
Descriptor: Cytochrome P450 3A4, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F.
Deposit date:2018-05-01
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
5BVB
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BU of 5bvb by Molmil
Engineered Digoxigenin binder DIG5.1a
Descriptor: DIG5.1a, DIGOXIGENIN
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2015-06-04
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J.Chem.Inf.Model., 56, 2016
3FTF
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BU of 3ftf by Molmil
Crystal structure of A. aeolicus KsgA in complex with RNA and SAH
Descriptor: 5'-R(P*AP*AP*CP*CP*GP*UP*AP*GP*GP*GP*GP*AP*AP*CP*CP*UP*GP*CP*GP*GP*UP*U)-3', Dimethyladenosine transferase, POTASSIUM ION, ...
Authors:Tu, C, Ji, X.
Deposit date:2009-01-12
Release date:2009-03-24
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Binding of RNA and Cofactor by a KsgA Methyltransferase.
Structure, 17, 2009
2WMR
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BU of 2wmr by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
4PBS
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BU of 4pbs by Molmil
Crystal structure of the M. jannaschii F9 tRNA synthetase variant bound to 4-(2-bromoisobutyramido)-phenylalanine (BibaF)
Descriptor: 4-[(2-bromo-2-methylpropanoyl)amino]-L-phenylalanine, Tyrosine--tRNA ligase
Authors:Cooley, R.B, Karplus, P.A, Mehl, R.A.
Deposit date:2014-04-13
Release date:2014-07-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Gleaning Unexpected Fruits from Hard-Won Synthetases: Probing Principles of Permissivity in Non-canonical Amino Acid-tRNA Synthetases.
Chembiochem, 15, 2014
5NYA
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BU of 5nya by Molmil
Carbonic Anhydrase II Inhibitor RA13
Descriptor: Carbonic anhydrase 2, GLUTARIC ACID, ZINC ION, ...
Authors:Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
Deposit date:2017-05-11
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
6WHV
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BU of 6whv by Molmil
GluN1b-GluN2B NMDA receptor in complex with SDZ 220-040 and L689,560, class 2
Descriptor: (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, (2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chou, T, Tajima, N, Furukawa, H.
Deposit date:2020-04-08
Release date:2020-08-05
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
6WHS
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BU of 6whs by Molmil
GluN1b-GluN2B NMDA receptor in non-active 1 conformation at 3.95 angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Chou, T, Tajima, N, Furukawa, H.
Deposit date:2020-04-08
Release date:2020-08-05
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
5NY1
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BU of 5ny1 by Molmil
Carbonic Anhydrase II Inhibitor RA10
Descriptor: 3,6,7-trimethyl-~{N}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide, Carbonic anhydrase 2, ZINC ION
Authors:Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
Deposit date:2017-05-11
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
6WHR
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BU of 6whr by Molmil
GluN1b-GluN2B NMDA receptor in non-active 2 conformation at 4 angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Chou, T, Tajima, N, Furukawa, H.
Deposit date:2020-04-08
Release date:2020-08-05
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.99 Å)
Cite:Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
2R7L
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BU of 2r7l by Molmil
Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with ATP and AICAR
Descriptor: 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase, ADENOSINE-5'-TRIPHOSPHATE, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, ...
Authors:Zhang, Y, White, R.H, Ealick, S.E.
Deposit date:2007-09-09
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
5X8F
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BU of 5x8f by Molmil
Ternary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with AMP and its product analogue OSB-NCoA at 1.76 angstrom
Descriptor: 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
2R7N
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BU of 2r7n by Molmil
Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with ADP and FAICAR
Descriptor: 5-(formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide, 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Zhang, Y, White, R.H, Ealick, S.E.
Deposit date:2007-09-09
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
6CNK
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BU of 6cnk by Molmil
Structure of the 3alpha2beta stiochiometry of the human Alpha4Beta2 nicotinic receptor
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
Authors:Walsh Jr, R.M, Roh, S.H, Gharpure, A, Morales-Perez, C.L, Hibbs, R.E.
Deposit date:2018-03-08
Release date:2018-05-02
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural principles of distinct assemblies of the human alpha 4 beta 2 nicotinic receptor.
Nature, 557, 2018
1MFF
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BU of 1mff by Molmil
MACROPHAGE MIGRATION INHIBITORY FACTOR Y95F MUTANT
Descriptor: MACROPHAGE MIGRATION INHIBITORY FACTOR
Authors:Taylor, A.B, Stamps, S.L, Wang, S.C, Hackert, M.L, Whitman, C.P.
Deposit date:1998-10-19
Release date:1999-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of the phenylpyruvate tautomerase activity of macrophage migration inhibitory factor: properties of the P1G, P1A, Y95F, and N97A mutants.
Biochemistry, 39, 2000
5CG5
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BU of 5cg5 by Molmil
Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION
Authors:Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I.
Deposit date:2015-07-09
Release date:2015-10-14
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.402 Å), X-RAY DIFFRACTION
Cite:Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase
J.Med.Chem., 58, 2015
2R3Y
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BU of 2r3y by Molmil
Crystal structure of the DegS protease in complex with the YWF activating peptide
Descriptor: Protease degS, Synthetic peptide YWF
Authors:Clausen, T, Hasselblatt, H.
Deposit date:2007-08-30
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of the sigmaE stress response by DegS: how the PDZ domain keeps the protease inactive in the resting state and allows integration of different OMP-derived stress signals upon folding stress.
Genes Dev., 21, 2007
5CG6
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BU of 5cg6 by Molmil
Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate and isopentenyl pyrophosphate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ...
Authors:Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I.
Deposit date:2015-07-09
Release date:2015-10-14
Last modified:2025-03-12
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase
J.Med.Chem., 58, 2015
5COX
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BU of 5cox by Molmil
UNINHIBITED MOUSE CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kurumbail, R, Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996

238582

数据于2025-07-09公开中

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