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PDB: 51630 件

2RCY
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Crystal structure of Plasmodium falciparum pyrroline carboxylate reductase (MAL13P1.284) with NADP bound
分子名称: GLYCEROL, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Wernimont, A.K, Lew, J, Lin, Y.H, Ren, H, Sun, X, Khuu, C, Hassanali, A, Wasney, G, Zhao, Y, Kozieradzki, I, Schapira, M, Bochkarev, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
登録日2007-09-20
公開日2007-10-23
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Plasmodium falciparum pyrroline carboxylate reductase (MAL13P1.284) with NADP bound.
To be Published
6KHX
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Crystal structure of Prx from Akkermansia muciniphila
分子名称: CALCIUM ION, Peroxiredoxin
著者Li, M, Wang, J, Xu, W, Wang, Y, Zhang, M, Wang, M.
登録日2019-07-16
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Crystal structure of Akkermansia muciniphila peroxiredoxin reveals a novel regulatory mechanism of typical 2-Cys Prxs by a distinct loop.
Febs Lett., 594, 2020
2RDO
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50S subunit with EF-G(GDPNP) and RRF bound
分子名称: 23S RIBOSOMAL RNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ...
著者Gao, N, Zavialov, A.V, Ehrenberg, M, Frank, J.
登録日2007-09-24
公開日2008-03-04
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9.1 Å)
主引用文献Specific interaction between EF-G and RRF and its implication for GTP-dependent ribosome splitting into subunits.
J.Mol.Biol., 374, 2007
5V9T
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BU of 5v9t by Molmil
Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48)
分子名称: Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ...
著者Kiefer, J.R, Liang, J, Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5VAS
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Pekin duck egg lysozyme isoform III (DEL-III), orthorhombic form
分子名称: GLYCEROL, Lysozyme, PHOSPHATE ION
著者Christie, M, Christ, D, Langley, D.B.
登録日2017-03-27
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of antigen recognition: crystal structure of duck egg lysozyme.
Acta Crystallogr D Struct Biol, 73, 2017
2R55
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BU of 2r55 by Molmil
Human StAR-related lipid transfer protein 5
分子名称: StAR-related lipid transfer protein 5
著者Lehtio, L, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
登録日2007-09-03
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
5VH0
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RHCC in complex with pyrene
分子名称: 1,2-ETHANEDIOL, Tetrabrachion, pyrene
著者McDougall, M, Francisco, O, Stetefeld, J.
登録日2017-04-12
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.055 Å)
主引用文献Proteinaceous Nano container Encapsulate Polycyclic Aromatic Hydrocarbons.
Sci Rep, 9, 2019
5VLK
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BU of 5vlk by Molmil
Short PCSK9 delta-P' complex with shrunken peptide bearing homo-Arginine
分子名称: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2 peptide, ACE-TRP-ASN-LEU-VAL-HRG-ILE-GLY-LEU-LEU peptide, CALCIUM ION, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
6DWF
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BU of 6dwf by Molmil
Crystal structure of complex of BBKI mutant, L55R with Bovine Trypsin
分子名称: Cationic trypsin, Kunitz-type inihibitor
著者Li, M, Wlodawer, A, Gustchina, A.
登録日2018-06-26
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structures of the complex of a kallikrein inhibitor from Bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.
Acta Crystallogr D Struct Biol, 75, 2019
5VLP
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PCSK9 complex with LDLR antagonist peptide and Fab7G7
分子名称: Fab7G7 heavy chain, Fab7G7 light chain, LDLR antagonist peptide, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
2R9O
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Cathepsin S complexed with Compound 8
分子名称: Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
著者Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
登録日2007-09-13
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
5VLA
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BU of 5vla by Molmil
Short PCSK9 delta-P' complex with Fusion2 peptide
分子名称: CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-MET-PRO-TRP-ASN-LEU-VAL-ARG-ILE-GLY-LEU-LEU
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
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2020-07-29
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
5VG2
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Intradiol ring-cleavage Dioxygenase from Tetranychus urticae
分子名称: CACODYLATE ION, FE (III) ION, Intradiol ring-cleavage Dioxygenase
著者Schlachter, C, Klapper, V, Chruszcz, M.
登録日2017-04-10
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch.
Insect Biochem.Mol.Biol., 107, 2019
6JLJ
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BU of 6jlj by Molmil
XFEL structure of cyanobacterial photosystem II (dark state, dataset1)
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 (2.15 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
1JIF
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BU of 1jif by Molmil
Crystal structure of bleomycin-binding protein from bleomycin-producing Streptomyces verticillus complexed with copper(II)-bleomycin
分子名称: BLEOMYCIN A2, CHLORIDE ION, COPPER (II) ION, ...
著者Sugiyama, M, Kumagai, T, Hayashida, M, Maruyama, M, Matoba, Y.
登録日2001-07-02
公開日2002-02-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The 1.6-A crystal structure of the copper(II)-bound bleomycin complexed with the bleomycin-binding protein from bleomycin-producing Streptomyces verticillus.
J.Biol.Chem., 277, 2002
3KW9
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BU of 3kw9 by Molmil
X-ray structure of Cathepsin K covalently bound to a triazine ligand
分子名称: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid
著者Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-01
公開日2010-03-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KWZ
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Cathepsin K in complex with a non-selective 2-cyano-pyrimidine inhibitor
分子名称: 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-02
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
6JLK
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XFEL structure of cyanobacterial photosystem II (1F state, dataset1)
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 (2.15 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
6JLM
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BU of 6jlm by Molmil
XFEL structure of cyanobacterial photosystem II (dark 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 (2.35 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
5X17
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Crystal structure of murine CK1d in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, SULFATE ION
著者Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T.
登録日2017-01-25
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock
Mol. Cell, 67, 2017
5WE4
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BU of 5we4 by Molmil
70S ribosome-EF-Tu wt complex with GppNHp
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Fislage, M, Brown, Z, Frank, J.
登録日2017-07-07
公開日2018-04-25
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
2Q9M
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4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity
分子名称: (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase
著者Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T.
登録日2007-06-13
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity
J.Med.Chem., 50, 2007
5WDA
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BU of 5wda by Molmil
Structure of the PulG pseudopilus
分子名称: CALCIUM ION, General secretion pathway protein G
著者Lopez-Castilla, A, Thomassin, J.L, Bardiaux, B, Zheng, W, Nivaskumar, M, Yu, X, Nilges, M, Egelman, E.H, Izadi-Pruneyre, N, Francetic, O.
登録日2017-07-04
公開日2017-10-25
最終更新日2020-01-01
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Structure of the calcium-dependent type 2 secretion pseudopilus.
Nat Microbiol, 2, 2017
5I6A
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bicyclo[3.3.2]decapeptide
分子名称: ALA-PHE-GLY-LYD-VAL-PHE-PRO-GLN-ALA-GLY, DIMETHYL SULFOXIDE
著者Bartoloni, M, Waltersperger, S, Bumann, M, Stocker, A, Darbre, T, Reymond, J.-L.
登録日2016-02-16
公開日2016-03-09
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (0.813 Å)
主引用文献Stereoselective synthesis and structure determination of a bicyclo[3.3.2]decapeptide
Arkivoc, 2014, 2014

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