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7KXQ
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BU of 7kxq by Molmil
BTK1 SOAKED WITH COMPOUND 30
Descriptor: 3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK
Authors:Viacava Follis, A.
Deposit date:2020-12-04
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
8GMV
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BU of 8gmv by Molmil
Crystal structure of lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Nam, K.H.
Deposit date:2022-08-22
Release date:2022-09-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of lysozyme
To Be Published
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
Descriptor: Spike protein S1, scFv
Authors:Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
Deposit date:2022-08-27
Release date:2023-06-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
8GMW
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BU of 8gmw by Molmil
Crystal structure of lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Nam, K.H.
Deposit date:2022-08-22
Release date:2022-09-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of lysozyme
To Be Published
2Q0I
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BU of 2q0i by Molmil
Structure of Pseudomonas Quinolone Signal Response Protein PqsE
Descriptor: BENZOIC ACID, FE (III) ION, Quinolone signal response protein
Authors:Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W.
Deposit date:2007-05-22
Release date:2008-06-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein.
Biochemistry, 48, 2009
2Q0Y
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BU of 2q0y by Molmil
Crystal structure of GCN5-related N-acetyltransferase (YP_295895.1) from Ralstonia eutropha JMP134 at 1.80 A resolution
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, GCN5-related N-acetyltransferase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-05-22
Release date:2007-06-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of GCN5-related N-acetyltransferase (YP_295895.1) from Ralstonia eutropha JMP134 at 1.80 A resolution
To be published
7KZ6
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BU of 7kz6 by Molmil
Crystal structure of KabA from Bacillus cereus UW85 with bound cofactor PMP
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme
Authors:Prasertanan, T, Palmer, D.R.J, Sanders, D.A.R.
Deposit date:2020-12-10
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Snapshots along the catalytic path of KabA, a PLP-dependent aminotransferase required for kanosamine biosynthesis in Bacillus cereus UW85.
J.Struct.Biol., 213, 2021
7KPY
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BU of 7kpy by Molmil
Crystal structure of CBP bromodomain liganded with UMB298 (compound 23)
Descriptor: 1,2-ETHANEDIOL, 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine, Histone acetyltransferase
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2020-11-12
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of Dimethylisoxazole-Attached Imidazo[1,2- a ]pyridines as Potent and Selective CBP/P300 Inhibitors.
J.Med.Chem., 64, 2021
2Q14
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BU of 2q14 by Molmil
Crystal structure of Phosphohydrolase (BT4208) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-05-23
Release date:2007-06-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Phosphohydrolase (BT4208) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution
To be published
7KQ0
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BU of 7kq0 by Molmil
PCNA bound to peptide mimetic
Descriptor: LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-TYR-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2020-11-13
Release date:2021-05-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA.
J.Biol.Chem., 296, 2021
6P0T
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BU of 6p0t by Molmil
Crystal structure of ternary DNA complex "FX(1-2)-1Xis" containing E. coli Fis and phage lambda Xis
Descriptor: DNA (27-MER), FX1-2, DNA-binding protein Fis, ...
Authors:Hancock, S.P, Cascio, D, Johnson, R.C.
Deposit date:2019-05-17
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.603 Å)
Cite:Cooperative DNA binding by proteins through DNA shape complementarity.
Nucleic Acids Res., 47, 2019
8GQE
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BU of 8gqe by Molmil
Crystal structure of the W285A mutant of UVR8 in complex with RUP2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ultraviolet-B receptor UVR8, WD repeat-containing protein RUP2
Authors:Wang, Y.D, Wang, L.X, Guan, Z.Y, chang, H.F, Yin, P.
Deposit date:2022-08-30
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:RUP2 facilitates UVR8 redimerization via two interfaces.
Plant Commun., 4, 2023
8H13
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BU of 8h13 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Closed Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-10-19
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
7L1E
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BU of 7l1e by Molmil
The Crystal Structure of Bromide-Bound GtACR1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Anion channelrhodopsin-1, BROMIDE ION, ...
Authors:Li, H, Huang, C.Y, Wang, M, Spudich, J.L, Zheng, L.
Deposit date:2020-12-14
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The crystal structure of bromide-bound Gt ACR1 reveals a pre-activated state in the transmembrane anion tunnel.
Elife, 10, 2021
2Q3T
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BU of 2q3t by Molmil
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At3g22680
Descriptor: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Protein At3g22680, ...
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
8H14
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BU of 8h14 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x3 Disulfide (D414C and V969C), Locked-1 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-10-19
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
2PFO
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BU of 2pfo by Molmil
DNA Polymerase lambda in complex with DNA and dUPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DNA polymerase lambda, ...
Authors:Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Pedersen, L.C, Kunkel, T.A.
Deposit date:2007-04-05
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Role of the catalytic metal during polymerization by DNA polymerase lambda.
DNA Repair, 6, 2007
7KZ3
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BU of 7kz3 by Molmil
Crystal structure of KabA from Bacillus cereus UW85 in complex with the internal aldimine
Descriptor: 1,2-ETHANEDIOL, Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, SODIUM ION
Authors:Prasertanan, T, Palmer, D.R.J, Sanders, D.A.R.
Deposit date:2020-12-09
Release date:2021-05-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Snapshots along the catalytic path of KabA, a PLP-dependent aminotransferase required for kanosamine biosynthesis in Bacillus cereus UW85.
J.Struct.Biol., 213, 2021
2PFY
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BU of 2pfy by Molmil
Crystal structure of DctP7, a Bordetella pertussis extracytoplasmic solute receptor binding pyroglutamic acid
Descriptor: PYROGLUTAMIC ACID, Putative exported protein
Authors:Rucktooa, P.
Deposit date:2007-04-06
Release date:2007-06-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of two Bordetella pertussis Periplasmic Receptors Contribute to Defining a Novel Pyroglutamic Acid Binding DctP Subfamily.
J.Mol.Biol., 370, 2007
7KZ5
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BU of 7kz5 by Molmil
Crystal structure of KabA from Bacillus cereus UW85 in complex with the plp external aldimine adduct with kanosamine-6-phosphate
Descriptor: 1,2-ETHANEDIOL, 3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco pyranose, Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, ...
Authors:Prasertanan, T, Palmer, D.R.J, Sanders, D.A.R.
Deposit date:2020-12-10
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Snapshots along the catalytic path of KabA, a PLP-dependent aminotransferase required for kanosamine biosynthesis in Bacillus cereus UW85.
J.Struct.Biol., 213, 2021
7KW1
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BU of 7kw1 by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3
Descriptor: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
Authors:Skene, R.
Deposit date:2020-11-29
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
1IGZ
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BU of 1igz by Molmil
Crystal Structure of Linoleic acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Malkowski, M.G, Thuresson, E.D, Smith, W.L, Garavito, R.M.
Deposit date:2001-04-18
Release date:2001-12-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of eicosapentaenoic and linoleic acids in the cyclooxygenase site of prostaglandin endoperoxide H synthase-1.
J.Biol.Chem., 276, 2001
7KVX
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BU of 7kvx by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1
Descriptor: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
Authors:Skene, R.
Deposit date:2020-11-29
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
7KZD
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BU of 7kzd by Molmil
Crystal structure of KabA from Bacillus cereus UW85 in complex with the reduced internal aldimine and with bound Glutarate
Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 1,2-ETHANEDIOL, Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, ...
Authors:Prasertanan, T, Palmer, D.R.J, Sanders, D.A.R.
Deposit date:2020-12-10
Release date:2021-05-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Snapshots along the catalytic path of KabA, a PLP-dependent aminotransferase required for kanosamine biosynthesis in Bacillus cereus UW85.
J.Struct.Biol., 213, 2021
7L0E
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BU of 7l0e by Molmil
Crystal structure of bovine RPE65 in complex with gem-difluoro emixustat and palmitate
Descriptor: (1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol, FE (II) ION, PALMITIC ACID, ...
Authors:Kiser, P.D.
Deposit date:2020-12-11
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.
J.Med.Chem., 64, 2021

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数据于2025-10-15公开中

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