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7V8Z
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BU of 7v8z by Molmil
Crystal structure of mouse CRY2 in complex with SHP656 compound
分子名称: 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one, Cryptochrome-2
著者Miller, S.A, Hirota, T.
登録日2021-08-23
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献CRY2 isoform selectivity of a circadian clock modulator with antiglioblastoma efficacy.
Proc.Natl.Acad.Sci.USA, 119, 2022
8OST
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BU of 8ost by Molmil
Structure of human terminal uridylyltransferase 4 (TUT4, ZCCHC11) in complex with pre-let7g miRNA and Lin28A
分子名称: Protein lin-28 homolog A, Terminal uridylyltransferase 4, ZINC ION, ...
著者Gilbert, R.J, Yi, G, Ye, M.
登録日2023-04-20
公開日2024-07-17
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Structural basis for activity switching in polymerases determining the fate of let-7 pre-miRNAs
Nat.Struct.Mol.Biol., 2024
6DUF
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BU of 6duf by Molmil
Crystal structure of HIV-1 reverse transcriptase V106A/F227L mutant in complex with non-nucleoside inhibitor 25a
分子名称: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
著者Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
登録日2018-06-20
公開日2018-08-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.963 Å)
主引用文献Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
6DUH
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BU of 6duh by Molmil
Crystal structure of HIV-1 reverse transcriptase Y181I mutant in complex with non-nucleoside inhibitor 25a
分子名称: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
著者Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
登録日2018-06-20
公開日2018-08-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
5MSL
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BU of 5msl by Molmil
Solution structure of the B. subtilis anti-sigma-F factor, FIN
分子名称: Anti-sigma-F factor Fin, ZINC ION
著者Martinez-Lumbreras, S, Alfano, C, Isaacson, R.L.
登録日2017-01-05
公開日2017-06-21
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A novel RNA polymerase-binding protein that interacts with a sigma-factor docking site.
Mol. Microbiol., 105, 2017
5APH
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BU of 5aph by Molmil
Ligand complex of RORg LBD
分子名称: DIMETHYL SULFOXIDE, N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE, NUCLEAR RECEPTOR COACTIVATOR 2, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2015-09-16
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
7VIL
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BU of 7vil by Molmil
Solution structure of subunit epsilon of the Mycobacterium abscessus F-ATP synthase
分子名称: ATP synthase epsilon chain
著者Shin, J, Grueber, G, Wong, C.F.
登録日2021-09-27
公開日2022-10-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Atomic solution structure of Mycobacterium abscessus F-ATP synthase subunit epsilon and identification of Ep1MabF1 as a targeted inhibitor.
Febs J., 289, 2022
1DK6
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BU of 1dk6 by Molmil
NMR structure analysis of the DNA nine base pair duplex D(CATGAGTAC) D(GTAC(NP3)CATG)
分子名称: 5'-D(CP*AP*TP*GP*AP*GP*TP*AP*CP*)-3', 5'-D(GP*TP*AP*CP*(NP3)P*CP*AP*TP*GP*)-3'
著者Klewer, D.A, Hoskins, A, Davisson, V.J, Bergstrom, D.E, LiWang, A.C.
登録日1999-12-06
公開日2000-01-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of a DNA duplex containing nucleoside analog 1-(2'-deoxy-beta-D-ribofuranosyl)-3-nitropyrrole and the structure of the unmodified control.
Nucleic Acids Res., 28, 2000
6I1S
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BU of 6i1s by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201
分子名称: (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione, 1,2-ETHANEDIOL, Activin receptor type-1, ...
著者Williams, E.P, Pinkas, D.M, Fortin, J, Newman, J.A, Bradshaw, W.J, Mahajan, P, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-10-30
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Mutant ACVR1 Arrests Glial Cell Differentiation to Drive Tumorigenesis in Pediatric Gliomas.
Cancer Cell, 37, 2020
5APJ
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BU of 5apj by Molmil
Ligand complex of RORg LBD
分子名称: 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR COACTIVATOR 2, NUCLEAR RECEPTOR ROR-GAMMA, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2015-09-16
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
5YE4
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BU of 5ye4 by Molmil
Crystal structure of the complex of di-acetylated histone H4 and 1A9D7 Fab fragment
分子名称: 1A9D7 L chain, 1A9D7 VH CH1 chain, ZINC ION, ...
著者Matsuda, T, Ito, T, Wakamori, M, Umehara, T.
登録日2017-09-15
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献JQ1 affects BRD2-dependent and independent transcription regulation without disrupting H4-hyperacetylated chromatin states.
Epigenetics, 13, 2018
7FHR
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BU of 7fhr by Molmil
Crystal Structure of a Rieske Oxygenase from Cupriavidus metallidurans
分子名称: 1,2-ETHANEDIOL, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Mahto, J.K, Dhankhar, P, Kumar, P.
登録日2021-07-30
公開日2021-12-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
3NFG
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BU of 3nfg by Molmil
Crystal structure of Dimerization module of RNA polymerase I subcomplex A49/A34.5
分子名称: DNA-directed RNA polymerase I subunit RPA34, DNA-directed RNA polymerase I subunit RPA49
著者Geiger, S.R.
登録日2010-06-10
公開日2010-09-08
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献RNA Polymerase I Contains a TFIIF-Related DNA-Binding Subcomplex.
Mol.Cell, 39, 2010
1DK9
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BU of 1dk9 by Molmil
SOLUTION STRUCTURE ANALYSIS OF THE DNA DUPLEX D(CATGAGTAC)D(GTACTCATG)
分子名称: 5'-D(CP*AP*TP*GP*AP*GP*TP*AP*CP*)-3', 5'-D(GP*TP*AP*CP*TP*CP*AP*TP*GP*)-3'
著者Klewer, D.A, Hoskins, A, Davisson, V.J, Bergstrom, D.E, LiWang, A.C.
登録日1999-12-06
公開日1999-12-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of a DNA duplex containing nucleoside analog 1-(2'-deoxy-beta-D-ribofuranosyl)-3-nitropyrrole and the structure of the unmodified control.
Nucleic Acids Res., 28, 2000
3RS1
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BU of 3rs1 by Molmil
Mouse C-type lectin-related protein Clrg
分子名称: C-type lectin domain family 2 member I, CHLORIDE ION
著者Skalova, T, Dohnalek, J, Duskova, J, Stepankova, A, Koval, T, Hasek, J, Kotynkova, K, Vanek, O, Bezouska, K.
登録日2011-05-02
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mouse Clr-g, a Ligand for NK Cell Activation Receptor NKR-P1F: Crystal Structure and Biophysical Properties.
J.Immunol., 189, 2012
4HVA
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BU of 4hva by Molmil
Mechanistic and Structural Understanding of Uncompetitive Inhibitors of Caspase-6
分子名称: Caspase-6, N-[(2R)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide, VEID Inhibitor
著者Murray, J.M, Steffek, M.
登録日2012-11-05
公開日2013-03-20
実験手法X-RAY DIFFRACTION (2.074 Å)
主引用文献Mechanistic and structural understanding of uncompetitive inhibitors of caspase-6.
Plos One, 7, 2012
7XML
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BU of 7xml by Molmil
Cryo-EM structure of PEIP-Bs_enolase complex
分子名称: Enolase, MAGNESIUM ION, Putative gene 60 protein
著者Li, S, Zhang, K.
登録日2022-04-26
公開日2022-07-27
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Bacteriophage protein PEIP is a potent Bacillus subtilis enolase inhibitor.
Cell Rep, 40, 2022
7CK1
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BU of 7ck1 by Molmil
Crystal structure of arabidopsis CESA3 catalytic domain
分子名称: Cellulose synthase A catalytic subunit 3 [UDP-forming],Cellulose synthase A catalytic subunit 3 [UDP-forming], MANGANESE (II) ION
著者Qiao, Z, Gao, Y.G.
登録日2020-07-15
公開日2021-03-17
最終更新日2021-03-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of Arabidopsis CESA3 catalytic domain with its substrate UDP-glucose provides insight into the mechanism of cellulose synthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CK3
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BU of 7ck3 by Molmil
Crystal structure of Arabidopsis CESA3 catalytic domain
分子名称: Cellulose synthase A catalytic subunit 3 [UDP-forming],Cellulose synthase A catalytic subunit 3 [UDP-forming]
著者Qiao, Z, Gao, Y.G.
登録日2020-07-15
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of Arabidopsis CESA3 catalytic domain with its substrate UDP-glucose provides insight into the mechanism of cellulose synthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CK2
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BU of 7ck2 by Molmil
Crystal structure of Arabidopsis CESA3 catalytic domain with UDP-Glucose
分子名称: Cellulose synthase A catalytic subunit 3 [UDP-forming],Cellulose synthase A catalytic subunit 3 [UDP-forming], MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Qiao, Z, Gao, Y.G.
登録日2020-07-15
公開日2021-03-17
最終更新日2021-03-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of Arabidopsis CESA3 catalytic domain with its substrate UDP-glucose provides insight into the mechanism of cellulose synthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
1CEA
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BU of 1cea by Molmil
THE STRUCTURE OF THE NON-COVALENT COMPLEX OF RECOMBINANT KRINGLE 1 DOMAIN OF HUMAN PLASMINOGEN WITH EACA (EPSILON-AMINOCAPROIC ACID)
分子名称: 6-AMINOHEXANOIC ACID, PLASMINOGEN
著者Tulinsky, A, Mathews, I.I.
登録日1995-12-03
公開日1996-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structures of the recombinant kringle 1 domain of human plasminogen in complexes with the ligands epsilon-aminocaproic acid and trans-4-(aminomethyl)cyclohexane-1-carboxylic Acid.
Biochemistry, 35, 1996
6UL5
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BU of 6ul5 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor
分子名称: 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ...
著者Ruiz, F.X, Pilch, A, Arnold, E.
登録日2019-10-06
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.
J.Med.Chem., 63, 2020
6B2I
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BU of 6b2i by Molmil
E45A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6B2G
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BU of 6b2g by Molmil
P38A mutant of HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6B2H
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BU of 6b2h by Molmil
P38A/T216I mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023

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