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4UPE
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BU of 4upe by Molmil
Structure of the unready Ni-A state of the S499C mutant of D. fructosovorans NiFe-hydrogenase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, ...
著者Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C.
登録日2014-06-16
公開日2014-10-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015
4UMY
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BU of 4umy by Molmil
IDH1 R132H in complex with cpd 1
分子名称: GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者McLean, L, Zhang, Y, Mathieu, M.
登録日2014-05-22
公開日2014-11-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
4USE
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BU of 4use by Molmil
Human STK10 (LOK) with SB-633825
分子名称: 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10
著者Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S.
登録日2014-07-07
公開日2015-07-22
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
4WBQ
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BU of 4wbq by Molmil
Crystal structure of the exonuclease domain of QIP (QDE-2 interacting protein) solved by native-SAD phasing.
分子名称: CALCIUM ION, QDE-2-interacting protein
著者Boland, A, Weinert, T, Weichenrieder, O, Wang, M.
登録日2014-09-03
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4UVM
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BU of 4uvm by Molmil
In meso crystal structure of the POT family transporter PepTSo
分子名称: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, GLUTATHIONE UPTAKE TRANSPORTER
著者Lyons, J.A, Solcan, N, Caffrey, M, Newstead, S.
登録日2014-08-07
公開日2015-02-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Gating Topology of the Proton-Coupled Oligopeptide Symporters.
Structure, 23, 2015
4UW4
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BU of 4uw4 by Molmil
Human galectin-7 in complex with a galactose based dendron D2-1.
分子名称: DENDRON D2-1, GALECTIN-7
著者Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
登録日2014-08-08
公開日2014-11-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.766 Å)
主引用文献Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
4UT1
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BU of 4ut1 by Molmil
The structure of the flagellar hook junction protein FlgK from Burkholderia pseudomallei
分子名称: 1,2-ETHANEDIOL, FLAGELLAR HOOK-ASSOCIATED PROTEIN
著者Gourlay, L.J, Lassaux, P, Bolognesi, M.
登録日2014-07-17
公開日2015-02-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献From Crystal Structure to in Silico Epitope Discovery in Burkholderia Pseudomallei Flagellar Hook-Associated Protein Flgk.
FEBS J., 282, 2015
4V0I
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BU of 4v0i by Molmil
Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta
分子名称: 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
著者Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W.
登録日2014-09-16
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications.
J.Chem.Inf.Model., 56, 2016
4V1N
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BU of 4v1n by Molmil
Architecture of the RNA polymerase II-Mediator core transcription initiation complex
分子名称: DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ...
著者Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P.
登録日2014-09-29
公開日2015-02-04
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Architecture of the RNA Polymerase II-Mediator Core Initiation Complex.
Nature, 518, 2015
4V1O
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BU of 4v1o by Molmil
Architecture of the RNA polymerase II-Mediator core transcription initiation complex
分子名称: DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ...
著者Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P.
登録日2014-09-29
公開日2015-02-04
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (9.7 Å)
主引用文献Architecture of the RNA Polymerase II-Mediator Core Initiation Complex.
Nature, 518, 2015
4UXL
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BU of 4uxl by Molmil
Structure of Human ROS1 Kinase Domain in Complex with PF-06463922
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2014-08-25
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WBX
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BU of 4wbx by Molmil
Conserved hypothetical protein PF1771 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data
分子名称: 2-keto acid:ferredoxin oxidoreductase subunit alpha
著者Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2014-09-04
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4UW5
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BU of 4uw5 by Molmil
Human galectin-7 in complex with a galactose based dendron D2-2.
分子名称: DENDRON D2-1, HUMAN GALECTIN-7
著者Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
登録日2014-08-08
公開日2014-11-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
4UZR
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BU of 4uzr by Molmil
Crystal Structure of Pyrococcus horikoshii Ph1500
分子名称: PUTATIVE UNCHARACTERIZED PROTEIN PH1500
著者Hartmann, M.D, Ammelburg, M, Djuranovic, S, Lupas, A.N.
登録日2014-09-08
公開日2015-10-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.652 Å)
主引用文献Crystal Structure of Pyrococcus Horikoshii Ph1500
To be Published
4V1M
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BU of 4v1m by Molmil
Architecture of the RNA polymerase II-Mediator core transcription initiation complex
分子名称: 5'-D(*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP)-3', 5'-D(*CP*CP*AP*GP*GP*AP)-3', 5'-D(*TP*CP*AP*AP*GP*TP*AP*CP*TP*TP*TP*TP*TP*CP *CP*BRUP*GP*GP*TP*C)-3', ...
著者Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P.
登録日2014-09-29
公開日2015-02-04
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Architecture of the RNA Polymerase II-Mediator Core Initiation Complex.
Nature, 518, 2015
8UK2
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BU of 8uk2 by Molmil
The rotavirus VP5*/VP8* conformational transition permeabilizes membranes to Ca2+ (class 5 reconstruction)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Outer capsid glycoprotein VP7, ...
著者De Sautu, M, Herrmann, T, Jenni, S, Harrison, S.C.
登録日2023-10-12
公開日2024-03-27
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献The rotavirus VP5*/VP8* conformational transition permeabilizes membranes to Ca2.
Plos Pathog., 20, 2024
8V05
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BU of 8v05 by Molmil
Crystal structure of mouse PLD3
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-3' exonuclease PLD3, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2023-11-17
公開日2024-03-13
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural and mechanistic insights into disease-associated endolysosomal exonucleases PLD3 and PLD4.
Structure, 2024
8V06
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BU of 8v06 by Molmil
Crystal structure of mouse PLD3 co-crystallized with 5'Pi-ssDNA for 9 days
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, 5'-3' exonuclease PLD3, ...
著者Yuan, M, Wilson, I.A.
登録日2023-11-17
公開日2024-03-13
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structural and mechanistic insights into disease-associated endolysosomal exonucleases PLD3 and PLD4.
Structure, 2024
8W9H
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BU of 8w9h by Molmil
Crystal structure of anti-human CLEC12A antibody 50C1
分子名称: 1,2-ETHANEDIOL, SULFATE ION, anti-human CLEC12A antibody 50C1 Fab Heavy chain, ...
著者Mori, S, Nagae, M, Yamasaki, S.
登録日2023-09-05
公開日2024-03-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the complex of CLEC12A and an antibody that interferes with binding of diverse ligands.
Int.Immunol., 36, 2024
8V08
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BU of 8v08 by Molmil
Crystal structure of human PLD4 co-crystallized with 5'Pi-ssDNA
分子名称: 5'-3' exonuclease PLD4, ssDNA
著者Yuan, M, Wilson, I.A.
登録日2023-11-17
公開日2024-03-13
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and mechanistic insights into disease-associated endolysosomal exonucleases PLD3 and PLD4.
Structure, 2024
8W34
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BU of 8w34 by Molmil
HIV-1 intasome core assembled with wild-type integrase, 1F
分子名称: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (5'-D(*AP*CP*TP*GP*CP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*CP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*GP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*GP*CP*A)-3'), ...
著者Li, M, Craigie, R.
登録日2024-02-21
公開日2024-04-17
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献HIV-1 Integrase Assembles Multiple Species of Stable Synaptic Complex Intasomes That Are Active for Concerted DNA Integration In vitro.
J.Mol.Biol., 436, 2024
8W9J
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BU of 8w9j by Molmil
Crystal structure of human CLEC12A ectodomain complexed with 50C1 Fab
分子名称: Anti-human CLEC12A antibody 50C1 heavy chain, Anti-human CLEC12A antibody 50C1 light chain, C-type lectin domain family 12 member A
著者Mori, S, Nagae, M, Yamasaki, S.
登録日2023-09-05
公開日2024-03-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of the complex of CLEC12A and an antibody that interferes with binding of diverse ligands.
Int.Immunol., 36, 2024
8UK3
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The rotavirus VP5*/VP8* conformational transition permeabilizes membranes to Ca2+ (class 6 reconstruction)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Outer capsid glycoprotein VP7, ...
著者De Sautu, M, Herrmann, T, Jenni, S, Harrison, S.C.
登録日2023-10-12
公開日2024-03-27
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献The rotavirus VP5*/VP8* conformational transition permeabilizes membranes to Ca2.
Plos Pathog., 20, 2024
8UJT
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BU of 8ujt by Molmil
Crystal structure of human polymerase eta with incoming dAMPnPP nucleotide opposite urea lesion
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(XB9)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
著者Tomar, R, Egli, M, Stone, M.P.
登録日2023-10-11
公開日2024-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Replication Bypass of the N -(2-Deoxy-d-erythro-pentofuranosyl)-urea DNA Lesion by Human DNA Polymerase eta.
Biochemistry, 63, 2024
8WOT
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Cryo-EM structure of human SIDT1 protein with C2 symmetry at low pH
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, CHOLESTEROL, ...
著者Liu, W, Tang, M, Wang, J, Zhang, X, Wu, S, Ru, H.
登録日2023-10-07
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structural insights into cholesterol transport and hydrolase activity of a putative human RNA transport protein SIDT1.
Cell Discov, 10, 2024

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