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7B00
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Human LAT2-4F2hc complex in the apo-state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Digitonin, Isoform 2 of 4F2 cell-surface antigen heavy chain, ...
著者Rodriguez, C.F, Escudero-Bravo, P, Garcia-Martin, C, Boskovic, J, Errasti-Murugarren, E, Palacin, M, Llorca, O.
登録日2020-11-17
公開日2021-10-27
最終更新日2022-02-23
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献Structural basis for substrate specificity of heteromeric transporters of neutral amino acids.
Proc Natl Acad Sci U S A, 118, 2021
7EHY
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BRD4-BD1 in complex with LT-448-138
分子名称: 1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4
著者Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
登録日2021-03-30
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献BRD4-BD1 in complex with LT-642-602
To Be Published
4QR5
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Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
7EIG
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BRD4-BD1 in complex with LT-730-903
分子名称: 1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4
著者Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献BRD4-BD1 in complex with LT-730-903
To Be Published
7EIC
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BU of 7eic by Molmil
Crystal structure of AF9 YEATS domain in complex with H4K5acK8ac peptide
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Histone H4, ...
著者Kikuchi, M, Umehara, T.
登録日2021-03-30
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Elucidation of binding preferences of YEATS domains to site-specific acetylated nucleosome core particles.
J.Biol.Chem., 298, 2022
7EID
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BU of 7eid by Molmil
Crystal structure of AF9 YEATS domain in complex with H4K8acK12ac peptide
分子名称: GLYCEROL, Histone H4, Protein AF-9
著者Kikuchi, M, Umehara, T.
登録日2021-03-30
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Elucidation of binding preferences of YEATS domains to site-specific acetylated nucleosome core particles.
J.Biol.Chem., 298, 2022
7EIK
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RD4-BD1 in complex with LT-872-297
分子名称: 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4
著者Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献RD4-BD1 in complex with LT-872-297
To Be Published
2JNS
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BU of 2jns by Molmil
Solution structure of the Bromodomain-containing protein 4 ET domain
分子名称: Bromodomain-containing protein 4
著者Lin, Y.J, Padmanabhan, B, Yokoyama, S, Guntert, P, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-01
公開日2008-02-05
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution structure of the Bromodomain-containing protein 4 ET domain
To be Published
7EIL
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BU of 7eil by Molmil
BRD4-BD1 in complex with LT-909-110
分子名称: Bromodomain-containing protein 4, N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide
著者Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as novel and potent bromodomain and extra-terminal (BET) inhibitors with anticancer efficacy
Eur.J.Med.Chem., 227, 2022
4QXB
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BU of 4qxb by Molmil
crystal structure of histone demethylase KDM2A-H3K36ME3 with NOG
分子名称: Histone H3.2, Lysine-specific demethylase 2A, N-OXALYLGLYCINE, ...
著者Cheng, Z.J, Patel, D.J.
登録日2014-07-19
公開日2014-11-05
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A molecular threading mechanism underlies Jumonji lysine demethylase KDM2A regulation of methylated H3K36.
Genes Dev., 28, 2014
7EIF
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BU of 7eif by Molmil
Crystal structure of GAS41 YEATS domain
分子名称: GLYCEROL, YEATS domain-containing protein 4
著者Kikuchi, M, Umehara, T.
登録日2021-03-30
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献GAS41 promotes H2A.Z deposition through recognition of the N terminus of histone H3 by the YEATS domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
7AXU
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BU of 7axu by Molmil
Structure of WDR5:CS-VIP8 cocrystal after illumination in situ
分子名称: WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
4R1F
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BU of 4r1f by Molmil
Re-refined Human DNA topoisomerase IIa (ATPase and transducer domains) in complex with ADP and SO4
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-alpha, GLYCEROL, ...
著者Stanger, F.V, Schirmer, T.
登録日2014-08-05
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure of the N-Terminal Gyrase B Fragment in Complex with ADPPi Reveals Rigid-Body Motion Induced by ATP Hydrolysis
Plos One, 9, 2014
7EGH
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BU of 7egh by Molmil
TFIID lobe C subcomplex
分子名称: DNA (45-MER), Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 2, ...
著者Chen, X, Wu, Z, Li, J, Zhao, D, Xu, Y.
登録日2021-03-24
公開日2021-05-12
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
4QWN
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BU of 4qwn by Molmil
Histone demethylase KDM2A-H3K36ME1-alpha-KG complex structure
分子名称: 2-OXOGLUTARIC ACID, Histone H3.2, Lysine-specific demethylase 2A, ...
著者Cheng, Z.J, Patel, D.J.
登録日2014-07-16
公開日2014-11-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A molecular threading mechanism underlies Jumonji lysine demethylase KDM2A regulation of methylated H3K36.
Genes Dev., 28, 2014
7AXQ
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BU of 7axq by Molmil
Structure of the cryo-trapped WDR5:CS-VIP8 cocrystal after illumination at 405 nm and 180 K
分子名称: CS-VIP8, WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-12-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.562 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
4R5W
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BU of 4r5w by Molmil
Human artd1 (parp1) - catalytic domain in complex with inhibitor xav939
分子名称: 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Karlberg, T, Thorsell, A.G, Schuler, H.
登録日2014-08-22
公開日2015-09-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J.Med.Chem., 60, 2017
4R68
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BU of 4r68 by Molmil
Lactate Dehydrogenase in complex with inhibitor compound 31
分子名称: (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-08-22
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
4QSM
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BU of 4qsm by Molmil
Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 2, 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid
分子名称: 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid, L-lactate dehydrogenase A chain
著者Kolappan, S, Craig, L.
登録日2014-07-06
公開日2014-12-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms.
Acta Crystallogr.,Sect.D, 71, 2015
6ZM7
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BU of 6zm7 by Molmil
SARS-CoV-2 Nsp1 bound to the human CCDC124-80S-EBP1 ribosome complex
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
登録日2020-07-01
公開日2020-07-29
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6ZYH
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BU of 6zyh by Molmil
Crystal structure of GRP78 (70kDa heat shock protein 5 / BiP) ATPase domain in complex with ADP and calcium
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Endoplasmic reticulum chaperone BiP
著者Yan, Y, Preissler, S, Ron, D.
登録日2020-08-01
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
7EFA
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BU of 7efa by Molmil
Crystal structure of the complex between the C-terminal domain of mouse MUTYH and human PCNA
分子名称: Adenine DNA glycosylase, Proliferating cell nuclear antigen
著者Nakamura, T, Nakabeppu, Y, Yamagata, Y.
登録日2021-03-21
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the mammalian adenine DNA glycosylase MUTYH: insights into the base excision repair pathway and cancer.
Nucleic Acids Res., 49, 2021
7E2E
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BU of 7e2e by Molmil
Crystal structure of the Estrogen-Related Receptor alpha (ERRalpha) ligand-binding domain (LBD) in complex with an agonist DS45500853 and a PGC-1alpha peptide
分子名称: 1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone, IODIDE ION, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
著者Ito, S, Shinozuka, T, Kimura, T, Izumi, M, Wakabayashi, K.
登録日2021-02-05
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of a Novel Class of ERR alpha Agonists.
Acs Med.Chem.Lett., 12, 2021
7AXP
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Structural characterisation of WDR5:CS-VIP8 interaction in cis state 2
分子名称: CS-VIP8, WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-12-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.432 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXX
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BU of 7axx by Molmil
Structure of WDR5:CS-VIP8 crystal after illumination at 405 nm and room temperature
分子名称: (ALQ)(4FO)R(ABA)(DPN)(EDN)(S7Z), WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-12-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022

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