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5ZQ8
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BU of 5zq8 by Molmil
Crystal structure of spRlmCD with U747 stemloop RNA
分子名称: NICKEL (II) ION, RNA (5'-R(*CP*CP*GP*UP*(MUM)P*GP*AP*AP*AP*AP*GP*G)-3'), S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Jiang, Y.Y, Yu, H.L.
登録日2018-04-17
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5ZTH
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BU of 5zth by Molmil
Crystal structure of spRlmCD with U1939loop RNA at 3.24 angstrom
分子名称: RNA (5'-R(P*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029
著者Jiang, Y.Y, Yu, H.L.
登録日2018-05-03
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5YL2
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BU of 5yl2 by Molmil
Crystal structure of T2R-TTL-Y28 complex
分子名称: (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yang, J.H, Yang, T, Wen, J.L, Chen, L.J.
登録日2017-10-16
公開日2018-04-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
4KTC
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BU of 4ktc by Molmil
NS3/NS4A protease with inhibitor
分子名称: (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ...
著者Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J.
登録日2013-05-20
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease.
J.Med.Chem., 57, 2014
8K2E
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BU of 8k2e by Molmil
Crystal structure of YTHDC1 and Y3 complex
分子名称: 2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid, SULFATE ION, YTH domain-containing protein 1
著者Zhang, H.L, Yang, S.Y.
登録日2023-07-12
公開日2024-07-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献PocketFlow is a data-and-knowledge-driven structure-based molecular generative model
Nat. Mach. Intell., 6, 2024
6L5Z
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BU of 6l5z by Molmil
Crystal strucutre of AF9 YEATS domain in complex with a cyclopeptide inhibitor
分子名称: Protein AF-9, SC0-ALO-ALA-SC3-SC4-NH2
著者Li, Y, Chen, G, Li, H.
登録日2019-10-25
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Selective Targeting of AF9 YEATS Domain by Cyclopeptide Inhibitors with Preorganized Conformation.
J.Am.Chem.Soc., 142, 2020
7XL5
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BU of 7xl5 by Molmil
Crystal structure of the H42T/A85G/I86A mutant of a nadp-dependent alcohol dehydrogenase
分子名称: NADP-dependent isopropanol dehydrogenase
著者Jiang, Y.Y, Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D.
登録日2022-04-21
公開日2023-05-31
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Engineering the hydrogen transfer pathway of an alcohol dehydrogenase to increase activity by rational enzyme design
Mol Catal, 530, 2022
6NT4
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BU of 6nt4 by Molmil
Cryo-EM structure of a human-cockroach hybrid Nav channel bound to alpha-scorpion toxin AaH2.
分子名称: (7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Clairfeuille, T, Rohou, A, Payandeh, J.
登録日2019-01-28
公開日2019-02-20
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of alpha-scorpion toxin action on Na v channels.
Science, 363, 2019
7EIU
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BU of 7eiu by Molmil
Crystal structure of Mei2 RRM3 in complex with 8mer meiRNA
分子名称: GLYCEROL, Meiosis protein mei2, RNA (5'-R(P*UP*UP*CP*UP*GP*C)-3')
著者Shen, S.Y, Lv, M.Q.
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 (2.349 Å)
主引用文献Structural insights reveal the specific recognition of meiRNA by the Mei2 protein.
J Mol Cell Biol, 14, 2022
7EIO
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BU of 7eio by Molmil
Crystal Structure of Mei2 RRM3
分子名称: GLYCEROL, Meiosis protein mei2, SULFATE ION
著者Shen, S.Y, Li, F.D.
登録日2021-03-31
公開日2022-04-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Structural insights reveal the specific recognition of meiRNA by the Mei2 protein.
J Mol Cell Biol, 14, 2022
5JDF
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BU of 5jdf by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 1mM Ca2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, PENTADECANE, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-16
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDQ
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BU of 5jdq by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 100 mM Na+ and 10mM Sr2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, PENTADECANE, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-17
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JA5
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BU of 5ja5 by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L111A and L130A mutant in complex with rice D53 repressor EAR peptide motif
分子名称: Protein TPR1, The rice D53 peptide (a.a. 794-808), ZINC ION
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-04-12
公開日2017-07-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
5JHP
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BU of 5jhp by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L179A and I195A mutant in complex with rice D53 repressor EAR peptide motif
分子名称: Protein TPR1, The rice D53 EAR peptide (794-808)
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-04-21
公開日2017-07-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
6PMJ
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BU of 6pmj by Molmil
Sigm28-transcription initiation complex with specific promoter at the state 2
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Liu, B, Shi, W.
登録日2019-07-02
公開日2020-05-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain.
Embo J., 39, 2020
6PB4
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BU of 6pb4 by Molmil
The E. coli class-II CAP-dependent transcription activation complex with de novo RNA transcript at the state 2
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Liu, B, Shi, W.
登録日2019-06-13
公開日2020-03-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.35 Å)
主引用文献Visualization of two architectures in class-II CAP-dependent transcription activation
Plos Biol., 18, 2020
6PB5
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BU of 6pb5 by Molmil
The E. coli class-II CAP-dependent transcription activation complex at the state 1 architecture
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Liu, B, Shi, W.
登録日2019-06-13
公開日2020-03-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.52 Å)
主引用文献Visualization of two architectures in class-II CAP-dependent transcription activation
Plos Biol., 18, 2020
7B1O
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BU of 7b1o by Molmil
Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22
分子名称: 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1
著者Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M.
登録日2020-11-25
公開日2021-09-29
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
5JDH
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BU of 5jdh by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and 10mM Ca2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CALCIUM ION, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-16
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDN
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BU of 5jdn by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and 10mM Sr2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PENTADECANE, PENTAETHYLENE GLYCOL, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-17
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDM
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BU of 5jdm by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 0.1mM Sr2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15-PENTAOXAHEPTADECANE, PENTADECANE, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-17
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.558 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDG
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BU of 5jdg by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 0.1mM Ca2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-16
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDL
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BU of 5jdl by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 1mM Sr2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, PENTADECANE, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-17
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.904 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
7YP1
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BU of 7yp1 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement)
分子名称: 10E4 heavy chain, 10E4 light chain, EBV gH, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YOY
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BU of 7yoy by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement)
分子名称: 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023

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