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6JHW
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Structure of anti-CRISPR AcrIIC3 and NmeCas9 HNH
分子名称: AcrIIC3, CRISPR-associated endonuclease Cas9
著者Suh, J.Y, Lee, B.J, Lee, S.J, Kim, Y.
登録日2019-02-19
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Anti-CRISPR AcrIIC3 discriminates between Cas9 orthologs via targeting the variable surface of the HNH nuclease domain.
Febs J., 286, 2019
5UFV
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BU of 5ufv by Molmil
Crystal Structure of a Cellulose-active Polysaccharide Monooxygenase from M. thermophila (MtPMO3*)
分子名称: COPPER (II) ION, Glycoside hydrolase family 61 protein
著者Span, E.A, Deller, M.C, Marletta, M.A.
登録日2017-01-05
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The Role of the Secondary Coordination Sphere in a Fungal Polysaccharide Monooxygenase.
ACS Chem. Biol., 12, 2017
8B7W
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Complex IL-17A/anti-IL-17A-76
分子名称: CHLORIDE ION, GLYCEROL, Interleukin-17A, ...
著者Kostareva, O.S, Svoeglazova, A, Kolyadenko, I.A, Dzhus, U.F, Tishchenko, S.V, Gabdulkhakov, A.G.
登録日2022-10-03
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Two Epitope Regions Revealed in the Complex of IL-17A and Anti-IL-17A V H H Domain.
Int J Mol Sci, 23, 2022
5TZZ
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BU of 5tzz by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3-bromo-4-fluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine
分子名称: (3-bromo-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone, MAGNESIUM ION, ZINC ION, ...
著者Xu, R, Aertgeerts, K.
登録日2016-11-22
公開日2017-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
2R4E
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BU of 2r4e by Molmil
Crystal structure of Escherichia coli Glycerol-3-phosphate Dehydrogenase in complex with DHAP
分子名称: 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, Aerobic glycerol-3-phosphate dehydrogenase, ...
著者Yeh, J.I, Du, S, Chinte, U.
登録日2007-08-31
公開日2008-04-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of glycerol-3-phosphate dehydrogenase, an essential monotopic membrane enzyme involved in respiration and metabolism.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5U2M
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BU of 5u2m by Molmil
Crystal structure of human NAMPT with A-1293201
分子名称: N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2016-11-30
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
8B7Y
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BU of 8b7y by Molmil
Cryo-EM structure of the E.coli 70S ribosome in complex with the antibiotic Myxovalargin B.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Koller, T.O, Graf, M, Wilson, D.N.
登録日2022-10-03
公開日2023-01-25
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The Myxobacterial Antibiotic Myxovalargin: Biosynthesis, Structural Revision, Total Synthesis, and Molecular Characterization of Ribosomal Inhibition.
J.Am.Chem.Soc., 145, 2023
5K4I
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BU of 5k4i by Molmil
Crystal Structure of ERK2 in complex with compound 22
分子名称: 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2016-05-20
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
6EVU
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BU of 6evu by Molmil
Adhesin domain of PrgB from Enterococcus faecalis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, PrgB
著者Schmitt, A, Berntsson, R.P.A.
登録日2017-11-02
公開日2018-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献PrgB promotes aggregation, biofilm formation, and conjugation through DNA binding and compaction.
Mol. Microbiol., 109, 2018
5JYV
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BU of 5jyv by Molmil
NMR structure of foldswitch-stablized KaiB in complex with pseudo receiver domain of CikA from Thermosynechococcus elongatus
分子名称: Circadian clock protein KaiB, Two-component sensor histidine kinase
著者Tseng, R.D, LiWang, A.L.
登録日2016-05-15
公開日2017-03-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
5K05
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BU of 5k05 by Molmil
Crystal Structure of COMT in complex with 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
分子名称: 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole, Catechol O-methyltransferase, SULFATE ION
著者Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
登録日2016-05-17
公開日2016-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
5K0F
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BU of 5k0f by Molmil
Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ...
著者Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
登録日2016-05-17
公開日2016-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
5K0U
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BU of 5k0u by Molmil
CryoEM structure of the full virion of a human rhinovirus C
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Liu, Y, Hill, M.G, Klose, T, Chen, Z, Watters, K.E, Jiang, W, Palmenberg, A.C, Rossmann, M.G.
登録日2016-05-17
公開日2016-07-13
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Atomic structure of a rhinovirus C, a virus species linked to severe childhood asthma.
Proc.Natl.Acad.Sci.USA, 113, 2016
2RCB
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BU of 2rcb by Molmil
Crystal structure of the NR3B ligand binding core complex with D-serine at 1.62 Angstrom resolution
分子名称: D-SERINE, GLYCEROL, Glutamate [NMDA] receptor subunit 3B
著者Yao, Y, Mayer, M.L.
登録日2007-09-19
公開日2008-08-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
Embo J., 27, 2008
2RGU
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BU of 2rgu by Molmil
Crystal structure of complex of human DPP4 and inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione, Dipeptidyl peptidase 4
著者Nar, H, Himmelsbach, F, Eckhardt, M.
登録日2007-10-05
公開日2007-11-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献8-(3-(R)-Aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydropurine-2,6-dione (BI 1356), a Highly Potent, Selective, Long-Acting, and Orally Bioavailable DPP-4 Inhibitor for the Treatment of Type 2 Diabetes.
J.Med.Chem., 50, 2007
5K58
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BU of 5k58 by Molmil
Structure of the K. pneumonia SlmA-DNA complex bound to the C-terminal of the cell division protein FtsZ
分子名称: DNA (5'-D(*GP*TP*GP*AP*GP*TP*AP*CP*TP*CP*AP*C)-3'), Nucleoid occlusion factor SlmA, Octapeptide
著者Schumacher, M.
登録日2016-05-23
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.772 Å)
主引用文献Structures of the nucleoid occlusion protein SlmA bound to DNA and the C-terminal domain of the cytoskeletal protein FtsZ.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6V8Q
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BU of 6v8q by Molmil
Structure of an inner membrane protein required for PhoPQ regulated increases in outer membrane cardiolipin
分子名称: (9Z,21R,24R,30R,33R,44Z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-dip hosphatripentaconta-9,44-diene-21,33-diyl (9Z,9'Z)di-octadec-9-enoate, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ...
著者Fan, J, Miller, S.
登録日2019-12-11
公開日2020-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.699585 Å)
主引用文献Structure of an Inner Membrane Protein Required for PhoPQ-Regulated Increases in Outer Membrane Cardiolipin.
Mbio, 11, 2020
6JJZ
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BU of 6jjz by Molmil
Crystal Structure of MAGI2 and Dendrin complex
分子名称: ACETATE ION, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, ...
著者Lin, Z, Zhang, H, Yang, Z, Ji, Z, Zhang, M, Zhu, J.
登録日2019-02-27
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019
2RJG
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BU of 2rjg by Molmil
Crystal structure of biosynthetic alaine racemase from Escherichia coli
分子名称: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
登録日2007-10-15
公開日2008-07-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
5U77
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BU of 5u77 by Molmil
Crystal structure of ORP8 PH domain
分子名称: FORMIC ACID, N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium, Oxysterol-binding protein-related protein 8
著者Ghai, R, Yang, H.
登録日2016-12-11
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.157 Å)
主引用文献ORP5 and ORP8 bind phosphatidylinositol-4, 5-biphosphate (PtdIns(4,5)P 2) and regulate its level at the plasma membrane.
Nat Commun, 8, 2017
6FKA
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Crystal structure of N2C/D282C stabilized opsin bound to RS11
分子名称: (2~{S})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one, PALMITIC ACID, Rhodopsin, ...
著者Mattle, D, Standfuss, J, Dawson, R.
登録日2018-01-23
公開日2018-04-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ligand channel in pharmacologically stabilized rhodopsin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6JMQ
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LAT1-CD98hc complex bound to MEM-108 Fab
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, 4F2 cell-surface antigen heavy chain, ...
著者Lee, Y, Nishizawa, T, Kusakizako, T, Oda, K, Ishitani, R, Nakane, T, Nureki, O.
登録日2019-03-13
公開日2019-06-19
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Cryo-EM structure of the human L-type amino acid transporter 1 in complex with glycoprotein CD98hc.
Nat.Struct.Mol.Biol., 26, 2019
5JW6
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Cystal structure of aspartate semialdehyde dehydrogenase from Aspergillus fumigatus
分子名称: Aspartate-semialdehyde dehydrogenase, SULFATE ION
著者Dahal, G.P, Viola, R.E.
登録日2016-05-11
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of a fungal form of aspartate-semialdehyde dehydrogenase from Aspergillus fumigatus.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6FJ0
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Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: 5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Gelin, M, Labesse, G.
登録日2018-01-19
公開日2019-01-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.659 Å)
主引用文献Crystal structure of ERK2 in complex with an adenosine derivative
To be published
6FJ6
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Structure of Thaumatin collected at 100K on ID30B
分子名称: GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1
著者McCarthy, A.A, Mueller-Dieckmann, C.
登録日2018-01-20
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018

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