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PDB: 2998 件
8FDO
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BU of 8fdo by Molmil
SARS-CoV-2 fusion peptide epitope scaffold FP15 bound to DH1058
分子名称: DH1058 Heavy chain, DH1058 Light chain, FP15
著者Kapingidza, A.B, Marston, D.J, Wrapp, D, Winters, K, Azoitei, M.L.
登録日2022-12-04
公開日2023-10-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Engineered immunogens to elicit antibodies against conserved coronavirus epitopes.
Nat Commun, 14, 2023
4RWQ
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BU of 4rwq by Molmil
Crystal structure of the apo-state of porcine OAS1
分子名称: 2'-5'-oligoadenylate synthase 1
著者Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R.
登録日2014-12-05
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
1F4J
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BU of 1f4j by Molmil
STRUCTURE OF TETRAGONAL CRYSTALS OF HUMAN ERYTHROCYTE CATALASE
分子名称: CATALASE, PROTOPORPHYRIN IX CONTAINING FE
著者Safo, M.K, Musayev, F.N, Wu, S.H, Abraham, D.J, Ko, T.P.
登録日2000-06-07
公開日2000-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of tetragonal crystals of human erythrocyte catalase.
Acta Crystallogr.,Sect.D, 57, 2001
6P9O
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BU of 6p9o by Molmil
Poliovirus 135S-like expanded particle in complex with a monoclonal antibody directed against the N-terminal extension of capsid protein VP1
分子名称: VP1, VP2, VP3
著者Hogle, J.M, Filman, D.J, Shah, P.N.M.
登録日2019-06-10
公開日2020-06-10
最終更新日2020-10-21
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate.
Plos Pathog., 16, 2020
8FRR
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BU of 8frr by Molmil
Wild-type myocilin olfactomedin domain
分子名称: CALCIUM ION, GLYCEROL, Myocilin, ...
著者Ma, M.T, Lieberman, R.L, Huard, D.J.E.
登録日2023-01-08
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Competition between inside-out unfolding and pathogenic aggregation in an amyloid-forming beta-propeller.
Nat Commun, 15, 2024
6PC7
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BU of 6pc7 by Molmil
E. coli 50S ribosome bound to compound 46
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-16
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
5OGT
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BU of 5ogt by Molmil
Thermus scotoductus SA-01 Ene-reductase triple mutant TsER_C25D_I67T_A102H
分子名称: Chromate reductase, FLAVIN MONONUCLEOTIDE
著者Opperman, D.J, Hoebenreich, S, Nett, N.
登録日2017-07-13
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Thermus scotoductus SA-01 Ene-reductase triple mutant TsER_C25D_I67T_A102H
To Be Published
1FQ4
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BU of 1fq4 by Molmil
CRYSTAL STRUCTURE OF A COMPLEX BETWEEN HYDROXYETHYLENE INHIBITOR CP-108,420 AND YEAST ASPARTIC PROTEINASE A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide, SACCHAROPEPSIN, ...
著者Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B.
登録日2000-09-03
公開日2000-09-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
6PFC
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BU of 6pfc by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ...
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.689 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
5OO0
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BU of 5oo0 by Molmil
Cdk2(WT) covalent adduct with D28 at C177
分子名称: Cyclin-dependent kinase 2, methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
著者Craven, G, Morgan, R.M.L, Mann, D.J.
登録日2017-08-04
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
6PC8
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BU of 6pc8 by Molmil
E. coli 50S ribosome bound to compound 40q
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-16
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PPU
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BU of 6ppu by Molmil
Cryo-EM structure of AdnAB-AMPPNP-DNA complex
分子名称: ATP-dependent DNA helicase (UvrD/REP), DNA (29-MER), IRON/SULFUR CLUSTER, ...
著者Jia, N, Unciuleac, M, Shuman, S, Patel, D.J.
登録日2019-07-08
公開日2019-11-20
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures and single-molecule analysis of bacterial motor nuclease AdnAB illuminate the mechanism of DNA double-strand break resection.
Proc.Natl.Acad.Sci.USA, 116, 2019
8FKF
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BU of 8fkf by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide, GLYCEROL, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR36706
To Be Published
8FKD
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BU of 8fkd by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33068
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33068
To Be Published
8FKG
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BU of 8fkg by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33486
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide, GLYCEROL, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33486
To Be Published
8FKC
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BU of 8fkc by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33544
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR33544
To Be Published
8FKE
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BU of 8fke by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide, Nuclear receptor corepressor 1, ...
著者MacTavish, B.S, Kojetin, D.J.
登録日2022-12-21
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and SR32904
To Be Published
8FHE
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BU of 8fhe by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and GW9662
分子名称: 2-chloro-5-nitro-N-phenylbenzamide, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2022-12-14
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and GW9662
To Be Published
8FHG
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BU of 8fhg by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437
分子名称: N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide, Nuclear receptor corepressor 1, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2022-12-14
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437
To Be Published
8FHF
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BU of 8fhf by Molmil
Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437
分子名称: N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
著者Shang, J, Kojetin, D.J.
登録日2022-12-14
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437
To Be Published
6PF5
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BU of 6pf5 by Molmil
Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
4TTM
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BU of 4ttm by Molmil
Racemic structure of kalata B1 (kB1)
分子名称: D-kalata B1, Kalata-B1
著者Wang, C.K, King, G.J, Craik, D.J.
登録日2014-06-22
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9001 Å)
主引用文献Racemic and Quasi-Racemic X-ray Structures of Cyclic Disulfide-Rich Peptide Drug Scaffolds.
Angew.Chem.Int.Ed.Engl., 53, 2014
6PFF
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BU of 6pff by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-cyanobenzoic acid.
分子名称: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
登録日2019-06-21
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.982 Å)
主引用文献Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
5VMP
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BU of 5vmp by Molmil
Crystal Structure of Human KDM4 with Small Molecule Inhibitor QC5714
分子名称: 3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Hosfield, D.J.
登録日2017-04-28
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
5VW1
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BU of 5vw1 by Molmil
Crystal structure of SpyCas9-sgRNA-AcrIIA4 ternary complex
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DI(HYDROXYETHYL)ETHER, ...
著者Yang, H, Patel, D.J.
登録日2017-05-21
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Inhibition Mechanism of an Anti-CRISPR Suppressor AcrIIA4 Targeting SpyCas9.
Mol. Cell, 67, 2017

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