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6CEC
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BU of 6cec by Molmil
Crystal structure of fragment 3-(3-Methoxy-2-quinoxalinyl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-(3-methoxyquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
登録日2018-02-11
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
6CEF
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Crystal structure of fragment 3-(1,3-Benzothiazol-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-(1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
登録日2018-02-11
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
6LQO
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BU of 6lqo by Molmil
EBV tegument protein BBRF2/BSRF1 complex
分子名称: ACETATE ION, Cytoplasmic envelopment protein 1, GLYCEROL, ...
著者He, H.P, Luo, M, Cao, Y.L, Gao, S.
登録日2020-01-14
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.0911262 Å)
主引用文献Structure of Epstein-Barr virus tegument protein complex BBRF2-BSRF1 reveals its potential role in viral envelopment.
Nat Commun, 11, 2020
6LY9
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BU of 6ly9 by Molmil
The membrane-embedded Vo domain of V/A-ATPase from Thermus thermophilus
分子名称: V-type ATP synthase subunit C, V-type ATP synthase subunit E, V-type ATP synthase subunit I, ...
著者Kishikawa, J, Nakanishi, A, Furuta, A, Kato, T, Namba, K, Tamakoshi, M, Mitsuoka, K, Yokoyama, K.
登録日2020-02-13
公開日2020-09-09
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献Mechanical inhibition of isolated V o from V/A-ATPase for proton conductance.
Elife, 9, 2020
4DV9
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BU of 4dv9 by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-AMINO-3-OXOPROPYL)-2,13-DIBENZYL-12,22-DIHYDROXY-3,5,17-TRIMETHYL-8-(2-METHYLPROPYL)-4,7,10,15,18,21-HEXAOXO-19-(PROPAN-2-YL)-3,6,9,14,17,20-HEXAAZATRICOSAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE (NON-PREFERRED NAME), SULFATE ION
著者Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T.
登録日2012-02-23
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (2.076 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
1R9U
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BU of 1r9u by Molmil
Refined structure of peptaibol zervamicin IIB in methanol solution from trans-hydrogen bond J couplings
分子名称: ZERVAMICIN IIB
著者Shenkarev, Z.O, Balashova, T.A, Yakimenko, Z.A, Ovchinnikova, T.V, Arseniev, A.S.
登録日2003-10-31
公開日2004-11-09
最終更新日2018-10-10
実験手法SOLUTION NMR
主引用文献Biosynthetic Uniform 13C,15N-Labelling of Zervamicin Iib. Complete 13C and 15N NMR Assignment.
J.Pept.Sci., 9, 2003
6M8O
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BU of 6m8o by Molmil
Crystal structure of the receiver domain of LytR from Staphylococcus aureus
分子名称: DNA-binding response regulator, SULFATE ION
著者Shala-Lawrence, A, Audette, G.F.
登録日2018-08-22
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the receiver domain of LytR from Staphylococcus aureus
To Be Published
6LUV
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apo- Carbonic Anhydrase II pH 7.8 20 atm CO2
分子名称: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL
著者Kim, C.U, Kim, J.K.
登録日2020-02-02
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Elucidating the role of metal ions in carbonic anhydrase catalysis.
Nat Commun, 11, 2020
6M91
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BU of 6m91 by Molmil
Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-103094 ternary complex
分子名称: 3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid, CHLORIDE ION, Catenin beta-1, ...
著者Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J.
登録日2018-08-22
公開日2019-04-03
最終更新日2019-04-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
6LV8
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Ni- Carbonic Anhydrase II pH 11.0 20 atm CO2
分子名称: BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ...
著者Kim, C.U, Kim, J.K.
登録日2020-02-02
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Elucidating the role of metal ions in carbonic anhydrase catalysis.
Nat Commun, 11, 2020
4PQQ
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BU of 4pqq by Molmil
The crystal structure of discoidin domain from muskelin
分子名称: Muskelin, PHOSPHATE ION, TETRAETHYLENE GLYCOL
著者Kim, K.-H, Hong, S.K, Kim, E.E.
登録日2014-03-04
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of mouse muskelin discoidin domain and biochemical characterization of its self-association.
Acta Crystallogr.,Sect.D, 70, 2014
6LV4
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BU of 6lv4 by Molmil
Co- Carbonic Anhydrase II pH 11.0 20 atm CO2
分子名称: BICARBONATE ION, CARBON DIOXIDE, COBALT (II) ION, ...
著者Kim, C.U, Kim, J.K.
登録日2020-02-02
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Elucidating the role of metal ions in carbonic anhydrase catalysis.
Nat Commun, 11, 2020
6M4P
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BU of 6m4p by Molmil
Cytochrome P450 monooxygenase StvP2 substrate-bound structure
分子名称: 6-methoxy-streptovaricin C, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y.
登録日2020-03-08
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
3IXJ
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BU of 3ixj by Molmil
Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor
分子名称: Beta-secretase 1, N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE, SULFATE ION
著者Borkakoti, N, Lindberg, J, Nystrom, S.
登録日2009-09-04
公開日2010-03-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and Synthesis of Potent and Selective BACE-1 Inhibitors.
J.Med.Chem., 53, 2010
8XBW
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BU of 8xbw by Molmil
The cryo-EM structure of the RAD51 N-terminal lobe domain bound to the histone H4 tail of the nucleosome
分子名称: DNA (5'-D(P*AP*CP*CP*GP*CP*TP*TP*AP*AP*AP*CP*GP*CP*AP*CP*GP*TP*A)-3'), DNA (5'-D(P*TP*AP*CP*GP*TP*GP*CP*GP*TP*TP*TP*AP*AP*GP*CP*GP*GP*T)-3'), DNA repair protein RAD51 homolog 1, ...
著者Shioi, T, Hatazawa, S, Ogasawara, M, Takizawa, Y, Kurumizaka, H.
登録日2023-12-07
公開日2024-03-27
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Cryo-EM structures of RAD51 assembled on nucleosomes containing a DSB site.
Nature, 628, 2024
8XBU
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BU of 8xbu by Molmil
The cryo-EM structure of the decameric RAD51 ring bound to the nucleosome with the linker DNA binding
分子名称: DNA (153-MER), DNA (156-MER), DNA repair protein RAD51 homolog 1, ...
著者Shioi, T, Hatazawa, S, Ogasawara, M, Takizawa, Y, Kurumizaka, H.
登録日2023-12-07
公開日2024-03-27
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.24 Å)
主引用文献Cryo-EM structures of RAD51 assembled on nucleosomes containing a DSB site.
Nature, 628, 2024
6M93
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BU of 6m93 by Molmil
Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-1933 ternary complex
分子名称: 2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide, Catenin beta-1, F-box/WD repeat-containing protein 1A, ...
著者Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Lee, S.J.
登録日2018-08-22
公開日2019-04-03
最終更新日2019-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
6CB1
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BU of 6cb1 by Molmil
Yeast nucleolar pre-60S ribosomal subunit (state 3)
分子名称: 35S pre-ribosomal RNA miscRNA, 5.8S rRNA, 60S ribosomal protein L13-A, ...
著者Sanghai, Z.A, Miller, L, Barandun, J, Hunziker, M, Chaker-Margot, M, Klinge, S.
登録日2018-02-01
公開日2018-03-14
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Modular assembly of the nucleolar pre-60S ribosomal subunit.
Nature, 556, 2018
8XBT
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BU of 8xbt by Molmil
The cryo-EM structure of the octameric RAD51 ring bound to the nucleosome with the linker DNA binding
分子名称: DNA (153-MER), DNA (156-MER), DNA repair protein RAD51 homolog 1, ...
著者Shioi, T, Hatazawa, S, Ogasawara, M, Takizawa, Y, Kurumizaka, H.
登録日2023-12-07
公開日2024-03-27
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.12 Å)
主引用文献Cryo-EM structures of RAD51 assembled on nucleosomes containing a DSB site.
Nature, 628, 2024
6NY3
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CasX ternary complex with 30bp target DNA
分子名称: CasX, DNA Non-target strand, DNA target strand, ...
著者Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
登録日2019-02-10
公開日2019-02-27
最終更新日2019-12-25
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
4EU1
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BU of 4eu1 by Molmil
Structure of a mitochondrial aspartate aminotransferase from Trypanosoma brucei
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Mitochondrial aspartate aminotransferase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-04-25
公開日2012-05-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of aspartate aminotransferases from Trypanosoma brucei, Leishmania major and Giardia lamblia.
Acta Crystallogr F Struct Biol Commun, 71, 2015
6NN9
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BU of 6nn9 by Molmil
REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ...
著者Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M.
登録日1991-03-28
公開日1992-07-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants.
J.Mol.Biol., 221, 1991
6NRA
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hTRiC-hPFD Class1 (No PFD)
分子名称: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
著者Gestaut, D.R, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J.
登録日2019-01-23
公開日2019-06-19
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis.
Cell, 177, 2019
6NU3
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Structural insights into unique features of the human mitochondrial ribosome recycling
分子名称: 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ...
著者Sharma, M.R, Koripella, R.K, Agrawal, R.K.
登録日2019-01-30
公開日2019-04-17
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural insights into unique features of the human mitochondrial ribosome recycling.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NSU
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Crystallographic Capture of Quinolinate Synthase (NadA) from Pyrococcus horikoshii in its Substrates and Product-Bound States
分子名称: DIDEHYDROASPARTATE, IRON/SULFUR CLUSTER, Quinolinate synthase A
著者Esakova, O.A, Grove, T.L, Silakov, A, Yennawar, N.H, Booker, S.J.
登録日2019-01-25
公開日2019-08-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019

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