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3BOS
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BU of 3bos by Molmil
Crystal structure of a putative dna replication regulator HDA (SAMA_1916) from Shewanella amazonensis sb2b at 1.75 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CYTIDINE-5'-DIPHOSPHATE, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-12-17
公開日2008-01-15
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A structural basis for the regulatory inactivation of DnaA.
J.Mol.Biol., 385, 2009
1VRM
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BU of 1vrm by Molmil
Crystal structure of the apbe protein (tm1553) from thermotoga maritima msb8 at 1.58 A resolution
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, UNKNOWN LIGAND, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2005-03-10
公開日2005-03-22
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of the ApbE protein (TM1553) from Thermotoga maritima at 1.58 A resolution.
Proteins, 64, 2006
1CD3
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BU of 1cd3 by Molmil
PROCAPSID OF BACTERIOPHAGE PHIX174
分子名称: PROTEIN (CAPSID PROTEIN GPF), PROTEIN (SCAFFOLDING PROTEIN GPB), PROTEIN (SCAFFOLDING PROTEIN GPD), ...
著者Rossmann, M.G, Dokland, T.
登録日1999-03-05
公開日1999-04-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The role of scaffolding proteins in the assembly of the small, single-stranded DNA virus phiX174.
J.Mol.Biol., 288, 1999
2RS3
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BU of 2rs3 by Molmil
STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES
分子名称: 5-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
著者Badger, J, Smith, T.J, Rossmann, M.G.
登録日1988-10-03
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses.
Proteins, 6, 1989
2RS5
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BU of 2rs5 by Molmil
STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES
分子名称: 5-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
著者Badger, J, Smith, T.J, Rossmann, M.G.
登録日1988-10-03
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses.
Proteins, 6, 1989
2RM2
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BU of 2rm2 by Molmil
STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES
分子名称: 5-(7-(6-CHLORO-4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
著者Badger, J, Smith, T.J, Rossmann, M.G.
登録日1988-10-03
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses.
Proteins, 6, 1989
2RR1
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BU of 2rr1 by Molmil
STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES
分子名称: 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
著者Badger, J, Smith, T.J, Rossmann, M.G.
登録日1988-10-03
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses.
Proteins, 6, 1989
2RS1
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BU of 2rs1 by Molmil
STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES
分子名称: 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
著者Badger, J, Smith, T.J, Rossmann, M.G.
登録日1988-10-03
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses.
Proteins, 6, 1989
1S6P
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BU of 1s6p by Molmil
CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943
分子名称: 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Arnold, E.
登録日2004-01-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
5VOE
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BU of 5voe by Molmil
DesGla-XaS195A Bound to Aptamer 11F7t
分子名称: Aptamer 11F7t (36-MER), CALCIUM ION, Coagulation factor X, ...
著者Gunaratne, R, Kumar, S, Frederiksen, J.W, Stayrook, S, Lohrmann, J.L, Perry, K, Chabata, C.V, Thalji, N.K, Ho, M.D, Arepally, G, Camire, R.M, Krishnaswamy, S.K, Sullenger, B.A.
登録日2017-05-02
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
1MEC
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BU of 1mec by Molmil
CONFORMATIONAL VARIABILITY OF A PICORNAVIRUS CAPSID: PH-DEPENDENT STRUCTURAL CHANGES OF MENGO VIRUS RELATED TO ITS HOST RECEPTOR ATTACHMENT SITE AND DISASSEMBLY
分子名称: MENGO VIRUS COAT PROTEIN (SUBUNIT VP1), MENGO VIRUS COAT PROTEIN (SUBUNIT VP2), PHOSPHATE ION
著者Rossmann, M.G.
登録日1992-01-17
公開日1994-01-31
最終更新日2023-04-19
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Conformational variability of a picornavirus capsid: pH-dependent structural changes of Mengo virus related to its host receptor attachment site and disassembly.
Virology, 175, 1990
6U25
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BU of 6u25 by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST
分子名称: GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
著者Sack, J.
登録日2019-08-19
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.
J.Med.Chem., 62, 2019
6P9F
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BU of 6p9f by Molmil
Crystal structure of RAR-related orphan receptor C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera, trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid
著者Sack, J.
登録日2019-06-10
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as ROR gamma t inverse agonists.
Bioorg.Med.Chem.Lett., 29, 2019
7MBO
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BU of 7mbo by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian
著者Sheriff, S.
登録日2021-04-01
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.924 Å)
主引用文献Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
6PSW
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BU of 6psw by Molmil
Escherichia coli RNA polymerase promoter unwinding intermediate (TRPo) with TraR and rpsT P2 promoter
分子名称: CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
登録日2019-07-13
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Stepwise Promoter Melting by Bacterial RNA Polymerase.
Mol.Cell, 78, 2020
6PSS
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BU of 6pss by Molmil
Escherichia coli RNA polymerase promoter unwinding intermediate (TRPi1.5a) with TraR and mutant rpsT P2 promoter
分子名称: DNA (85-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
登録日2019-07-13
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Stepwise Promoter Melting by Bacterial RNA Polymerase.
Mol.Cell, 78, 2020
6PSQ
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BU of 6psq by Molmil
Escherichia coli RNA polymerase closed complex (TRPc) with TraR and rpsT P2 promoter
分子名称: CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
登録日2019-07-13
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Stepwise Promoter Melting by Bacterial RNA Polymerase.
Mol.Cell, 78, 2020
6PST
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BU of 6pst by Molmil
Escherichia coli RNA polymerase promoter unwinding intermediate (TRPi1.5b) with TraR and mutant rpsT P2 promoter
分子名称: CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
登録日2019-07-13
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Stepwise Promoter Melting by Bacterial RNA Polymerase.
Mol.Cell, 78, 2020
6PSV
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BU of 6psv by Molmil
Escherichia coli RNA polymerase promoter unwinding intermediate (TpreRPo) with TraR and rpsT P2 promoter
分子名称: CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
登録日2019-07-13
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Stepwise Promoter Melting by Bacterial RNA Polymerase.
Mol.Cell, 78, 2020
8GWR
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BU of 8gwr by Molmil
Near full length Kidney type Glutaminase in complex with 2,2-Dimethyl-2,3-Dihydrobenzo[a] Phenanthridin-4(1H)-one (DDP)
分子名称: 2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one, Glutaminase kidney isoform, mitochondrial
著者Shankar, S, Jobichen, C, Sivaraman, J.
登録日2022-09-17
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献A novel allosteric site employs a conserved inhibition mechanism in human kidney-type glutaminase.
Febs J., 290, 2023
6MTI
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BU of 6mti by Molmil
Synaptotagmin-1 C2A, C2B domains and SNARE-pin proteins (5CCI) individually docked into Cryo-EM map of C2AB-SNARE complexes helically organized on lipid nanotube surface in presence of Mg2+
分子名称: MAGNESIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ...
著者Grushin, K, Wang, J, Coleman, J, Rothman, J, Sindelar, C, Krishnakumar, S.
登録日2018-10-19
公開日2019-04-24
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (10.4 Å)
主引用文献Structural basis for the clamping and Ca2+activation of SNARE-mediated fusion by synaptotagmin.
Nat Commun, 10, 2019
7D5L
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BU of 7d5l by Molmil
Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection
分子名称: NS3/4A Protease, ZINC ION, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
著者Ghosh, K, Anumula, R, Kumar, A.
登録日2020-09-26
公開日2020-12-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 63, 2020
1R08
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BU of 1r08 by Molmil
STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES
分子名称: 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-(HYDROXYETHYL OXYMETHYLENEOXYMETHYL) ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
著者Badger, J, Smith, T.J, Rossmann, M.G.
登録日1988-10-03
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses.
Proteins, 6, 1989
1R09
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BU of 1r09 by Molmil
HUMAN RHINOVIRUS 14 COMPLEXED WITH ANTIVIRAL COMPOUND R 61837
分子名称: 3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PIPERAZINYL]PYRIDAZINE, DIMETHYL SULFOXIDE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), ...
著者Chapman, M.S, Minor, I, Rossmann, M.G, Diana, G.D, Andries, K.
登録日1990-05-04
公開日1991-10-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Human rhinovirus 14 complexed with antiviral compound R 61837.
J.Mol.Biol., 217, 1991
1RUC
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BU of 1ruc by Molmil
RHINOVIRUS 14 MUTANT N1105S COMPLEXED WITH ANTIVIRAL COMPOUND WIN 52035
分子名称: 5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE, RHINOVIRUS 14
著者Hadfield, A, Oliveira, M.A, Kim, K.H, Minor, I, Kremer, M.J, Heinz, B.A, Shepard, D, Pevear, D.C, Rueckert, R.R, Rossmann, M.G.
登録日1995-06-09
公開日1995-11-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural studies on human rhinovirus 14 drug-resistant compensation mutants.
J.Mol.Biol., 253, 1995

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