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7JTP
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BU of 7jtp by Molmil
Crystal structure of Protac MS67 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB
分子名称: Elongin-B, Elongin-C, GLYCEROL, ...
著者Kottur, J, Jain, R, Aggarwal, A.K.
登録日2020-08-18
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
7JTO
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Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB
分子名称: 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ...
著者Kottur, J, Jain, R, Aggarwal, A.K.
登録日2020-08-18
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
5LLI
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pVHL:EloB:EloC in complex with VH298
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[(1-cyanocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
著者Gadd, M.S, Soares, P, Galdeano, C, Ciulli, A.
登録日2016-07-27
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent and selective chemical probe of hypoxic signalling downstream of HIF-alpha hydroxylation via VHL inhibition.
Nat Commun, 7, 2016
5TXO
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BU of 5txo by Molmil
STRUCTURE OF Q151M complex (A62V, V75I, F77L, F116Y, Q151M) mutant HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
著者Das, K, Martinez, S.M, Arnold, E.
登録日2016-11-17
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.546 Å)
主引用文献Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
5OL9
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BU of 5ol9 by Molmil
Structure of human mitochondrial transcription elongation factor (TEFM) N-terminal domain
分子名称: ACETATE ION, Transcription elongation factor, mitochondrial
著者Hillen, H.S, Parshin, A.V, Agaronyan, K, Morozov, Y, Graber, J.J, Chernev, A, Schwinghammer, K, Urlaub, H, Anikin, M, Cramer, P, Temiakov, D.
登録日2017-07-27
公開日2017-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献Mechanism of Transcription Anti-termination in Human Mitochondria.
Cell, 171, 2017
5TXP
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BU of 5txp by Molmil
STRUCTURE OF Q151M complex (A62V, V75I, F77L, F116Y, Q151M) mutant HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DDATP
分子名称: 1,2-ETHANEDIOL, 2',3'-dideoxyadenosine triphosphate, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
著者Das, K, Martinez, S.M, Arnold, E.
登録日2016-11-17
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
7U0T
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BU of 7u0t by Molmil
Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520
分子名称: (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Fox III, D, Mayclin, S.J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-02-18
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus.
Mbio, 13, 2022
4JR7
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BU of 4jr7 by Molmil
Crystal structure of scCK2 alpha in complex with GMPPNP
分子名称: Casein kinase II subunit alpha, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Liu, H.
登録日2013-03-21
公開日2014-03-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4LFI
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BU of 4lfi by Molmil
Crystal structure of scCK2 alpha in complex with GMPPNP
分子名称: Casein kinase II subunit alpha, GLYCEROL, MANGANESE (II) ION, ...
著者Liu, H.
登録日2013-06-27
公開日2014-03-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
1CG7
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BU of 1cg7 by Molmil
HMG PROTEIN NHP6A FROM SACCHAROMYCES CEREVISIAE
分子名称: PROTEIN (NON HISTONE PROTEIN 6 A)
著者Allain, F.H.T, Yen, Y.M, Masse, J.E, Schultze, P, Dieckmann, T, Johnson, R.C, Feigon, J.
登録日1999-03-27
公開日1999-10-14
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the HMG protein NHP6A and its interaction with DNA reveals the structural determinants for non-sequence-specific binding.
EMBO J., 18, 1999
4MWH
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BU of 4mwh by Molmil
Crystal structure of scCK2 alpha in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, MAGNESIUM ION, ...
著者Liu, H.
登録日2013-09-24
公開日2013-11-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4JQE
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BU of 4jqe by Molmil
Crystal structure of scCK2 alpha in complex with AMPPN
分子名称: Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Liu, H.
登録日2013-03-20
公開日2014-03-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
3HV7
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BU of 3hv7 by Molmil
Human p38 MAP Kinase in Complex with RL38
分子名称: 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-06-15
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
6P7W
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BU of 6p7w by Molmil
Structure of the K. lactis CBF3 core - Ndc10 D1 complex
分子名称: Cep3, Ctf13, Ndc10, ...
著者Lee, P.D, Wei, H, Tan, D, Harrison, S.C.
登録日2019-06-06
公開日2019-09-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structure of the Centromere Binding Factor 3 Complex from Kluyveromyces lactis.
J.Mol.Biol., 431, 2019
6P7V
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BU of 6p7v by Molmil
Structure of the K. lactis CBF3 core
分子名称: Cep3, Ctf13, Skp1
著者Lee, P.D, Wei, H, Tan, D, Harrison, S.C.
登録日2019-06-06
公開日2019-09-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of the Centromere Binding Factor 3 Complex from Kluyveromyces lactis.
J.Mol.Biol., 431, 2019
6P7X
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BU of 6p7x by Molmil
Structure of the K. lactis CBF3 core - Ndc10 D1D2 complex
分子名称: Cep3, Ctf13, Ndc10, ...
著者Lee, P.D, Wei, H, Tan, D, Harrison, S.C.
登録日2019-06-06
公開日2019-09-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structure of the Centromere Binding Factor 3 Complex from Kluyveromyces lactis.
J.Mol.Biol., 431, 2019
5TXN
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BU of 5txn by Molmil
STRUCTURE OF Q151M MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
著者Das, K, Martinez, S.M, Arnold, E.
登録日2016-11-17
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
7UX2
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BU of 7ux2 by Molmil
cryo-EM structure of the Raptor-TFEB-Rag-Ragulator complex
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Cui, Z, Hurley, J.
登録日2022-05-04
公開日2022-11-30
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of the lysosomal mTORC1-TFEB-Rag-Ragulator megacomplex.
Nature, 614, 2023
5TXL
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BU of 5txl by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG) P*CP*GP*CP*CP*GP)-3'), ...
著者Das, K, Martinez, S.M, Arnold, E.
登録日2016-11-17
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
5TXM
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BU of 5txm by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DDATP
分子名称: 1,2-ETHANEDIOL, 2',3'-dideoxyadenosine triphosphate, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
著者Das, K, Martinez, S.M, Arnold, E.
登録日2016-11-17
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
1JLQ
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BU of 1jlq by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 739W94
分子名称: 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE, HIV-1 RT, A-CHAIN, ...
著者Ren, J, Stuart, D.I, Stammers, D.K.
登録日2001-07-16
公開日2001-08-22
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1.
J.Med.Chem., 44, 2001
8BI7
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BU of 8bi7 by Molmil
Binary structure of 14-3-3s and PKR phosphopeptide
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, PKR phosphopeptide
著者Somsen, B.A, Ottmann, C.
登録日2022-11-01
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8EWV
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BU of 8ewv by Molmil
DNA-encoded library (DEL)-enabled discovery of proximity inducing small molecules
分子名称: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
著者Schreiber, S.L, Shu, W, Ma, X, Michaud, G, Bonazzi, S, Berst, F.
登録日2022-10-24
公開日2023-10-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献DNA-encoded library-enabled discovery of proximity-inducing small molecules.
Nat.Chem.Biol., 20, 2024
8PTP
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BU of 8ptp by Molmil
Structure of Rho pentamer in complex with Rof
分子名称: Protein rof, Transcription termination factor Rho
著者Said, N, Hilal, T, Wahl, M.C.
登録日2023-07-14
公開日2024-04-17
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Sm-like protein Rof inhibits transcription termination factor rho by binding site obstruction and conformational insulation.
Nat Commun, 15, 2024
8PTN
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BU of 8ptn by Molmil
Structure of the transcription termination factor Rho in complex with Rof
分子名称: Protein rof, Transcription termination factor Rho
著者Said, N, Hilal, T, Wahl, M.C.
登録日2023-07-14
公開日2024-04-17
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Sm-like protein Rof inhibits transcription termination factor rho by binding site obstruction and conformational insulation.
Nat Commun, 15, 2024

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