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8I0D
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BU of 8i0d by Molmil
Sb3GT1 375S/Q377H mutant complex with UDP-Glc
分子名称: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Wang, H.T, Wang, Z.L, Ye, M.
登録日2023-01-10
公開日2023-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
3EAD
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BU of 3ead by Molmil
Crystal structure of CALX-CBD1
分子名称: CALCIUM ION, GLYCEROL, Na/Ca exchange protein
著者Zheng, L, Wang, M.
登録日2008-08-25
公開日2009-09-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structures of progressive Ca2+ binding states of the Ca2+ sensor Ca2+ binding domain 1 (CBD1) from the CALX Na+/Ca2+ exchanger reveal incremental conformational transitions.
J.Biol.Chem., 285, 2010
5K2C
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BU of 5k2c by Molmil
1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ...
著者Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2016-05-18
公開日2016-09-21
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
6IP5
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BU of 6ip5 by Molmil
Cryo-EM structure of the CMV-stalled human 80S ribosome (Structure ii)
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T.
登録日2018-11-02
公開日2019-05-29
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献HCV IRES Captures an Actively Translating 80S Ribosome.
Mol.Cell, 74, 2019
5K2A
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BU of 5k2a by Molmil
2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ...
著者Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2016-05-18
公開日2016-09-21
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
5K5S
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BU of 5k5s by Molmil
Crystal structure of the active form of human calcium-sensing receptor extracellular domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
著者Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R.
登録日2016-05-23
公開日2016-08-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
3E62
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BU of 3e62 by Molmil
Fragment based discovery of JAK-2 inhibitors
分子名称: 5-bromo-1H-indazol-3-amine, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4IL4
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BU of 4il4 by Molmil
The pentameric ligand-gated ion channel GLIC in complex with Se-DDM
分子名称: ACETATE ION, CHLORIDE ION, Proton-gated ion channel, ...
著者Sauguet, L, Malherbe, L, Corringer, P.J, Delarue, M.
登録日2012-12-29
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels.
Embo J., 32, 2013
3E63
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BU of 3e63 by Molmil
Fragment based discovery of JAK-2 inhibitors
分子名称: 5-phenyl-1H-indazol-3-amine, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
8IHO
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BU of 8iho by Molmil
Crystal structures of SARS-CoV-2 papain-like protease in complex with covalent inhibitors
分子名称: Papain-like protease nsp3, ZINC ION, covalent inhibitor
著者Wang, Q, Hu, H, Li, M, Xu, Y.
登録日2023-02-23
公開日2024-01-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like Protease.
Int J Mol Sci, 24, 2023
3E9T
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BU of 3e9t by Molmil
Crystal structure of Apo-form Calx CBD1 domain
分子名称: CALCIUM ION, Na/Ca exchange protein
著者Wu, M, Zheng, L.
登録日2008-08-23
公開日2009-09-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of progressive Ca2+ binding states of the Ca2+ sensor Ca2+ binding domain 1 (CBD1) from the CALX Na+/Ca2+ exchanger reveal incremental conformational transitions.
J.Biol.Chem., 285, 2010
6IO0
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BU of 6io0 by Molmil
Human IDH1 R132C mutant complexed with compound A.
分子名称: (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ...
著者Suzuki, M, Baba, D, Hanzawa, H.
登録日2018-10-29
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model.
Mol.Cancer Ther., 19, 2020
4IL9
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BU of 4il9 by Molmil
The pentameric ligand-gated ion channel GLIC A237F in complex with bromide
分子名称: ACETATE ION, BROMIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Sauguet, L, Corringer, P.J, Delarue, M.
登録日2012-12-29
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels.
Embo J., 32, 2013
8I3E
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BU of 8i3e by Molmil
Crystal structure of ELKS1 in complex with Piccolo
分子名称: ELKS/Rab6-interacting/CAST family member 1, MKIAA0559 protein
著者Cai, Q, Zhang, M.
登録日2023-01-17
公開日2024-01-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Short-distance vesicle transport via phase separation.
Cell, 187, 2024
4ILA
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BU of 4ila by Molmil
The pentameric ligand-gated ion channel GLIC A237F in complex with Cesium
分子名称: ACETATE ION, CESIUM ION, CHLORIDE ION, ...
著者Sauguet, L, Corringer, P.J, Delarue, M.
登録日2012-12-29
公開日2013-02-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels.
Embo J., 32, 2013
8I74
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BU of 8i74 by Molmil
Crystal structure of decarboxylated osteocalcin at pH 8.5
分子名称: Osteocalcin
著者Yokoyama, T, Nabeshima, Y, Obita, T, Mizuguchi, M.
登録日2023-01-31
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal structures of decarboxylated osteocalcin and implications for the interaction with its receptor
To Be Published
8I75
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BU of 8i75 by Molmil
Crystal structure of decarboxylated osteocalcin at pH 2.0
分子名称: Osteocalcin
著者Yokoyama, T, Nabeshima, Y, Obita, T, Mizuguchi, M.
登録日2023-01-31
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Crystal structures of decarboxylated osteocalcin and implications for the interaction with its receptor
To Be Published
8I76
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BU of 8i76 by Molmil
Crystal structure of decarboxylated osteocalcin at pH 2.0 without glycerol
分子名称: Osteocalcin
著者Yokoyama, T, Nabeshima, Y, Obita, T, Mizuguchi, M.
登録日2023-01-31
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.381 Å)
主引用文献Crystal structures of decarboxylated osteocalcin and implications for the interaction with its receptor
To Be Published
5KT2
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BU of 5kt2 by Molmil
Teranry complex of human DNA polymerase iota(26-445) inserting dCMPNPP opposite template G in the presence of Mg2+
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), ...
著者Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P.
登録日2016-07-11
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.488 Å)
主引用文献Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota.
J.Biol.Chem., 291, 2016
4ILB
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BU of 4ilb by Molmil
The pentameric ligand-gated ion channel GLIC A237F in complex with Rubidium
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Sauguet, L, Corringer, P.J, Delarue, M.
登録日2012-12-29
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels.
Embo J., 32, 2013
5KT7
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BU of 5kt7 by Molmil
Teranry complex of human DNA polymerase iota(1-445) inserting dCMPNPP opposite template G in the presence of Mn2+
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), DNA (5'-D(P*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), ...
著者Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P.
登録日2016-07-11
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.151 Å)
主引用文献Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota.
J.Biol.Chem., 291, 2016
5KT3
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BU of 5kt3 by Molmil
Teranry complex of human DNA polymerase iota(26-445) inserting dCMPNPP opposite template G in the presence of Mn2+
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), ...
著者Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P.
登録日2016-07-11
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota.
J.Biol.Chem., 291, 2016
6JLP
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BU of 6jlp by Molmil
XFEL structure of cyanobacterial photosystem II (3F state, dataset2)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2019-03-06
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
2VEM
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BU of 2vem by Molmil
Structure-based enzyme engineering efforts with an inactive monomeric TIM variant: the importance of a single point mutation for generating an active site with suitable binding properties
分子名称: (3-bromo-2-oxo-propoxy)phosphonic acid, GLYCOSOMAL TRIOSEPHOSPHATE ISOMERASE, TERTIARY-BUTYL ALCOHOL
著者Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K.
登録日2007-10-25
公開日2008-02-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Protein Engineering Efforts with a Monomeric Tim Variant: The Importance of a Single Point Mutation for Generating an Active Site with Suitable Binding Properties.
Protein Eng.Des.Sel., 21, 2008
3WLI
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BU of 3wli by Molmil
Crystal Structure Analysis of Plant Exohydrolase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ...
著者Streltsov, V.A, Hrmova, M.
登録日2013-11-12
公開日2015-03-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019

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