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6Q2X
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TEAD4 (216-434) COMPLEXED WITH YAP PEPTIDE (60-100) AND MYRISTOATE (COVALENTLY BOUND) AT 2.1A (P41212 CRYSTAL FORM)
分子名称: GLYCEROL, MYRISTIC ACID, Transcriptional coactivator YAP1, ...
著者Kallen, J.
登録日2018-12-03
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of potent linear peptide inhibitors of the YAP-TEAD protein-protein interaction derived from the YAP omega-loop sequence.
Bioorg.Med.Chem.Lett., 29, 2019
6DD5
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BU of 6dd5 by Molmil
Crystal Structure of the Cas6 Domain of Marinomonas mediterranea MMB-1 Cas6-RT-Cas1 Fusion Protein
分子名称: GLYCEROL, MMB-1 Cas6 Fused to Maltose Binding Protein,CRISPR-associated endonuclease Cas1, SULFATE ION, ...
著者Stamos, J.L, Mohr, G, Silas, S, Makarova, K.S, Markham, L.M, Yao, J, Lucas-Elio, P, Sanchez-Amat, A, Fire, A.Z, Koonin, E.V, Lambowitz, A.M.
登録日2018-05-09
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A Reverse Transcriptase-Cas1 Fusion Protein Contains a Cas6 Domain Required for Both CRISPR RNA Biogenesis and RNA Spacer Acquisition.
Mol. Cell, 72, 2018
5JNX
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The 6.6 A cryo-EM structure of the full-length human NPC1 in complex with the cleaved glycoprotein of Ebola virus
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, Envelope glycoprotein, ...
著者Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Wan, T, Shi, Y, Gao, F, Zhou, Q, Yan, N.
登録日2016-05-01
公開日2016-06-15
最終更新日2020-08-05
実験手法ELECTRON MICROSCOPY (6.56 Å)
主引用文献Structural Insights into the Niemann-Pick C1 (NPC1)-Mediated Cholesterol Transfer and Ebola Infection
Cell, 165, 2016
7OY7
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BU of 7oy7 by Molmil
Crystal structure of a trapped Pab-AGOG/double-standed DNA covalent intermediate (DNA containing cytosine opposite to lesion)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*CP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*(PED)P*TP*TP*TP*CP*T)-3'), ...
著者Coste, F, Goffinont, S, Flament, D, Castaing, B.
登録日2021-06-23
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
6Q9S
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HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 14 AT 2.4A: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid, Protein Mdm4, ...
著者Kallen, J.
登録日2018-12-18
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
7AB2
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Crystal structure of MerTK kinase domain in complex with UNC2025
分子名称: 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
6YXI
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Structure of Notum in complex with a 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid inhibitor
分子名称: 1,2-ETHANEDIOL, 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vecchia, L, Jones, E.Y, Ruza, R.R, Hillier, J, Zhao, Y.
登録日2020-05-01
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
6S0H
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BU of 6s0h by Molmil
Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed doripenem
分子名称: (2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M.
登録日2019-06-14
公開日2020-04-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
7AB1
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Crystal structure of MerTK kinase domain in complex with Gilteritinib
分子名称: 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
6PV4
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BU of 6pv4 by Molmil
Structure of CpGH84A
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Glycoside Hydrolase
著者Pluvinage, B, Boraston, A.B.
登録日2019-07-19
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens.
Glycobiology, 30, 2019
6O1Y
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BU of 6o1y by Molmil
Structure of pCW3 conjugation coupling protein TcpA monomeric form with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA translocase coupling protein, beta-D-glucopyranose
著者Traore, D.A.K, Ahktar, N, Torres, V.T, Adams, V, Coulibaly, F, Panjikar, S, Caradoc-Davies, T.T, Rood, J.I, Whisstock, J.C.
登録日2019-02-22
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of pCW3 conjugation coupling protein TcpA
To be published
7O4H
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BU of 7o4h by Molmil
The structure of the native CNGA1/CNGB1 CNG channel from retinal rods
分子名称: Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
著者Barret, D.C.A, Marino, J.
登録日2021-04-06
公開日2022-01-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The structure of the native CNGA1/CNGB1 CNG channel from bovine retinal rods.
Nat.Struct.Mol.Biol., 29, 2022
1Z4Z
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BU of 1z4z by Molmil
Parainfluenza Virus 5 (SV5) Hemagglutinin-Neuraminidase (HN) with ligand DANA(soaked with sialic acid, pH7.0))
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yuan, P, Thompson, T.B, Wurzburg, B.A, Paterson, R.G, Lamb, R.A, Jardetzky, T.S.
登録日2005-03-16
公開日2005-05-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies of the parainfluenza virus 5 hemagglutinin-neuraminidase tetramer in complex with its receptor, sialyllactose.
Structure, 13, 2005
4GTW
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BU of 4gtw by Molmil
Crystal structure of mouse Enpp1 in complex with AMP
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, ADENOSINE MONOPHOSPHATE, ...
著者Kato, K, Nishimasu, H, Ishitani, R, Nureki, O.
登録日2012-08-29
公開日2012-11-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling.
Proc.Natl.Acad.Sci.USA, 109, 2012
6Q96
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HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 12 AT 1.8A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
分子名称: 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Kallen, J.
登録日2018-12-17
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
7U2H
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BU of 7u2h by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Gly-NH-tRNAgly, aminoacylated P-site fMet-NH-tRNAmet, and deacylated E-site tRNAgly at 2.55A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
登録日2022-02-24
公開日2022-07-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for the inability of chloramphenicol to inhibit peptide bond formation in the presence of A-site glycine.
Nucleic Acids Res., 50, 2022
5EZI
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Crystal Structure of Fab of parasite invasion inhibitory antibody c1 - hexagonal form
分子名称: CHLORIDE ION, Fab c12 Light chain, Fab c12 heavy chain, ...
著者Favuzza, P, Pluschke, G, Rudolph, M.G.
登録日2015-11-26
公開日2017-01-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structure of the malaria vaccine candidate antigen CyRPA and its complex with a parasite invasion inhibitory antibody.
Elife, 6, 2017
6QFG
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Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK144
分子名称: 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
7RBW
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Structure of Biliverdin-binding Serpin of Boana punctata (polka-dot tree frog)
分子名称: BILIVERDINE IX ALPHA, Biliverdin bindin serpin
著者Fedorov, E, Manoilov, K.Y, Verkhusha, V, Almo, S.C, Ghosh, A.
登録日2021-07-06
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and Functional Characterization of a Biliverdin-Binding Near-Infrared Fluorescent Protein From the Serpin Superfamily.
J.Mol.Biol., 434, 2021
1E5J
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ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH METHYL-4II-S-ALPHA-CELLOBIOSYL-4II-THIO-BETA-CELLOBIOSIDE
分子名称: CALCIUM ION, ENDOGLUCANASE 5A, alpha-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside
著者Fort, S, Varrot, A, Schulein, M, Cottaz, S, Driguez, H, Davies, G.J.
登録日2000-07-26
公開日2001-07-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mixed-Linkage Cellooligosaccharides: A New Class of Glycoside Hydrolase Inhibitors
Chembiochem, 2, 2001
4RWF
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Crystal structure of the CLR:RAMP2 extracellular domain heterodimer with bound adrenomedullin
分子名称: 1,2-ETHANEDIOL, Adrenomedullin, Maltose transporter subunit, ...
著者Booe, J, Pioszak, A.
登録日2014-12-03
公開日2015-05-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Basis for Receptor Activity-Modifying Protein-Dependent Selective Peptide Recognition by a G Protein-Coupled Receptor.
Mol.Cell, 58, 2015
6Z0K
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Crystal structure of laccase from Pediococcus acidilactici Pp5930 (Hepes pH 7.5)
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, Putative multicopper oxidase mco
著者Casino, P, Huesa, J, Pardo, I.
登録日2020-05-09
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species.
Microb Biotechnol, 14, 2021
6PZ5
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Crystal Structure of HLA-B*2703 in complex with LRN, a self-peptide
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B*27:03 alpha chain, ...
著者Gras, S.
登録日2019-07-31
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
3HV3
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BU of 3hv3 by Molmil
Human p38 MAP Kinase in Complex with RL49
分子名称: 1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, GLYCEROL, Mitogen-activated protein kinase 14, ...
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-06-15
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
7RMW
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Crystal structure of B. subtilis PurR bound to ppGpp
分子名称: GUANOSINE-5',3'-TETRAPHOSPHATE, Pur operon repressor
著者Schumacher, M.A.
登録日2021-07-28
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The nucleotide messenger (p)ppGpp is an anti-inducer of the purine synthesis transcription regulator PurR in Bacillus.
Nucleic Acids Res., 50, 2022

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