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6P4F
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BU of 6p4f by Molmil
Crystal structure of the XPB-Bax1-forked DNA ternary complex
分子名称: CHLORIDE ION, DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*AP*AP*CP*AP*TP*CP*CP*TP*TP*TP*GP*CP*TP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*GP*TP*AP*GP*GP*TP*TP*TP*CP*CP*AP*TP*GP*TP*TP*GP*AP*GP*TP*CP*A)-3'), ...
著者He, F, Hilario, E, Fan, L.
登録日2019-05-27
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Structural basis of the XPB helicase-Bax1 nuclease complex interacting with the repair bubble DNA.
Nucleic Acids Res., 48, 2020
3ZWV
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BU of 3zwv by Molmil
Crystal structure of ADP-ribosyl cyclase complexed with ara-2'F-ADP- ribose at 2.3 angstrom
分子名称: ADP-RIBOSYL CYCLASE, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
著者Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q.
登録日2011-08-03
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural studies of intermediates along the cyclization pathway of Aplysia ADP-ribosyl cyclase.
J. Mol. Biol., 415, 2012
7WHD
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BU of 7whd by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y.
登録日2021-12-30
公開日2023-01-18
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
5I8G
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BU of 5i8g by Molmil
CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
分子名称: (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
3ZPB
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BU of 3zpb by Molmil
INFLUENZA VIRUS (VN1194) H5 E190D mutant HA with LSTa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
登録日2013-02-27
公開日2013-10-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013
6BAX
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BU of 6bax by Molmil
Lactate Dehydrogenase in complex with inhibitor 6-(3-aminophenyl)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
分子名称: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6PE5
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BU of 6pe5 by Molmil
Yeast Vo motor in complex with 2 VopQ molecules
分子名称: Cation transporter, Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, ...
著者Peng, W, Li, Y, Tomchick, D.R, Orth, K.
登録日2019-06-20
公開日2020-05-20
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A distinct inhibitory mechanism of the V-ATPase by Vibrio VopQ revealed by cryo-EM.
Nat.Struct.Mol.Biol., 27, 2020
3ZP0
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BU of 3zp0 by Molmil
INFLUENZA VIRUS (VN1194) H5 HA with LSTa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose
著者Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
登録日2013-02-26
公開日2013-10-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013
5I86
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BU of 5i86 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174
分子名称: (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-02-18
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
3MCA
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BU of 3mca by Molmil
Structure of the Dom34-Hbs1 Complex and implications for its role in No-Go decay
分子名称: Elongation factor 1 alpha-like protein, Protein dom34
著者Chen, L, Song, H.
登録日2010-03-28
公開日2010-10-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structure of the Dom34-Hbs1 complex and implications for no-go decay
Nat.Struct.Mol.Biol., 17, 2010
6M5R
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BU of 6m5r by Molmil
The coordinates of the apo monomeric terminase complex
分子名称: Tripartite terminase subunit 1, Tripartite terminase subunit 2, Tripartite terminase subunit 3, ...
著者Yang, Y.X, Yang, P, Wang, N, Chen, Z.H, Zhou, Z.H, Rao, Z.H, Wang, X.X.
登録日2020-03-11
公開日2020-10-28
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Architecture of the herpesvirus genome-packaging complex and implications for DNA translocation.
Protein Cell, 11, 2020
3ZWW
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BU of 3zww by Molmil
Crystal structure of ADP-ribosyl cyclase complexed with ara-2'F-ADP- ribose at 2.3 angstrom
分子名称: ADP-RIBOSYL CYCLASE, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
著者Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q.
登録日2011-08-03
公開日2011-11-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase.
J.Mol.Biol., 415, 2012
4A67
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BU of 4a67 by Molmil
Mutations in the neighbourhood of CotA-laccase trinuclear site: D116E mutant
分子名称: COPPER (II) ION, PEROXIDE ION, SPORE COAT PROTEIN A
著者Silva, C.S, Lindley, P.F, Bento, I.
登録日2011-10-31
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism
Acta Crystallogr.,Sect.D, 68, 2012
4A68
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BU of 4a68 by Molmil
Mutations in the neighbourhood of CotA-laccase trinuclear site: D116N mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, ...
著者Silva, C.S, Lindley, P.F, Bento, I.
登録日2011-10-31
公開日2012-01-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism
Acta Crystallogr.,Sect.D, 68, 2012
5K00
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BU of 5k00 by Molmil
MELK in complex with NVS-MELK5
分子名称: 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase
著者Sprague, E.R.
登録日2016-05-17
公開日2017-03-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献"Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors.
J. Med. Chem., 60, 2017
6N05
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BU of 6n05 by Molmil
Structure of anti-crispr protein, AcrIIC2
分子名称: AcrIIC2
著者Shah, M, Thavalingham, A, Maxwell, K.L, Moraes, T.F.
登録日2018-11-06
公開日2019-06-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
5JKG
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BU of 5jkg by Molmil
The crystal structure of FGFR4 kinase domain in complex with LY2874455
分子名称: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
著者Wu, D, Chen, L, Chen, Y.
登録日2016-04-26
公開日2016-10-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献Crystal Structure of the FGFR4/LY2874455 Complex Reveals Insights into the Pan-FGFR Selectivity of LY2874455
Plos One, 11, 2016
3ZWM
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BU of 3zwm by Molmil
Crystal structure of ADP ribosyl cyclase complexed with substrate NAD and product cADPR
分子名称: ADP-RIBOSYL CYLCASE, CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q.
登録日2011-08-02
公開日2011-11-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase.
J.Mol.Biol., 415, 2012
3ZWO
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BU of 3zwo by Molmil
Crystal structure of ADP ribosyl cyclase complexed with reaction intermediate
分子名称: 3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYD ROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2- YL]PYRIDINIUM, ADP-RIBOSYL CYCLASE, GUANOSINE DIPHOSPHATE RIBOSE
著者Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q.
登録日2011-08-02
公開日2011-11-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase.
J.Mol.Biol., 415, 2012
3ZWY
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BU of 3zwy by Molmil
Crystal structure of ADP-ribosyl cyclase complexed with 8-bromo-ADP- ribose and cyclic 8-bromo-cyclic-ADP-ribose
分子名称: (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide, ADP-RIBOSYL CYCLASE, [(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
著者Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q.
登録日2011-08-03
公開日2012-08-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase.
To be Published
6CDX
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BU of 6cdx by Molmil
High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin
分子名称: cystine knot (fluoropropylated)
著者Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V.
登録日2018-02-09
公開日2019-08-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
5Z5T
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BU of 5z5t by Molmil
The first bromodomain of BRD4 with compound BDF-2141
分子名称: 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol, Bromodomain-containing protein 4
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5V
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BU of 5z5v by Molmil
The first bromodomain of BRD4 with compound BDF-1253
分子名称: Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
7WH8
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BU of 7wh8 by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (focused refinement on Fab-RBD)
分子名称: Spike glycoprotein, antibody ZB8 heavy chain, antibody ZB8 light chain
著者Zeng, J.W.
登録日2021-12-30
公開日2023-01-18
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
7WHB
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BU of 7whb by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (3U)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Zeng, J.W, Ge, J.W, Wang, X.Q.
登録日2021-12-30
公開日2023-01-18
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023

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