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PDB: 17068 件

6FTY
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COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 5
分子名称: 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide, Complement factor D, GLYCEROL
著者Ostermann, N.
登録日2018-02-26
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
4ZW3
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X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9b
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-19
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX4
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BU of 4zx4 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
6FXH
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BU of 6fxh by Molmil
Human cytosolic 5'-nucleotidase II soaked with 10mM 3-Phenyl-N-(9H-purin-6-yl)benzamide
分子名称: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
著者Aghajari, N, Preeti, P.
登録日2018-03-09
公開日2019-03-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
2ZBP
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BU of 2zbp by Molmil
Crystal structure of ribosomal protein L11 methyltransferase from Thermus thermophilus in complex with S-adenosyl-L-methionine
分子名称: Ribosomal protein L11 methyltransferase, S-ADENOSYLMETHIONINE
著者Kaminishi, T, Sakai, H, Takemoto-Hori, C, Terada, T, Nakagawa, N, Maoka, N, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-10-26
公開日2008-11-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of ribosomal protein L11 methyltransferase from Thermus thermophilus
To be Published
5A7O
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BU of 5a7o by Molmil
Crystal structure of human JMJD2A in complex with compound 42
分子名称: 1,2-ETHANEDIOL, 2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
登録日2015-07-09
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
6FZP
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PPAR gamma complex.
分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
著者Rochel, N, Beji, S.
登録日2018-03-15
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
2ZCF
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BU of 2zcf by Molmil
Mutational study on Alpha-Gln90 of Fe-type nitrile hydratase from Rhodococcus sp. N771
分子名称: FE (III) ION, MAGNESIUM ION, Nitrile hydratase subunit alpha, ...
著者Takarada, H, Kawano, Y, Hashimoto, K, Nakayama, H, Ueda, S, Yohda, M, Kamiya, N, Dohmae, N, Maeda, M, Odaka, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-11-08
公開日2007-11-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Mutational study on alphaGln90 of Fe-type nitrile hydratase from Rhodococcus sp. N771
Biosci.Biotechnol.Biochem., 70, 2006
4ZUD
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BU of 4zud by Molmil
Crystal Structure of Human Angiotensin Receptor in Complex with Inverse Agonist Olmesartan at 2.8A resolution.
分子名称: Chimera protein of Soluble cytochrome b562 and Type-1 angiotensin II receptor, Olmesartan
著者Zhang, H, Unal, H, Desnoyer, R, Han, G.W, Patel, N, Katritch, V, Karnik, S.S, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
登録日2015-05-15
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Ligand Recognition and Functional Selectivity at Angiotensin Receptor.
J.Biol.Chem., 290, 2015
4ZWC
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Crystal structure of maltose-bound human GLUT3 in the outward-open conformation at 2.6 angstrom
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
著者Deng, D, Sun, P.C, Yan, C.Y, Yan, N.
登録日2015-05-19
公開日2015-07-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
6G3S
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BU of 6g3s by Molmil
Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Second structure of two TEW-HSP70 structures deposited.
分子名称: 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ...
著者Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A.
登録日2018-03-26
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
PLoS ONE, 13, 2018
6FZF
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PPAR mutant complex
分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
著者Rochel, N.
登録日2018-03-14
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
4ZW9
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BU of 4zw9 by Molmil
Crystal structure of human GLUT3 bound to D-glucose in the outward-occluded conformation at 1.5 angstrom
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
著者Deng, D, Sun, P.C, Yan, C.Y, Yan, N.
登録日2015-05-19
公開日2015-07-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
5A2L
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BU of 5a2l by Molmil
Crystal structure of scFv-SM3 in complex with APD-CGalNAc-RP
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MODIFIED ANTIGEN TN, ...
著者Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
登録日2015-05-20
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
6G3R
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BU of 6g3r by Molmil
Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Structure one of two TEW-HSP70 structures deposited.
分子名称: 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ...
著者Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A.
登録日2018-03-26
公開日2018-10-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
PLoS ONE, 13, 2018
6GAW
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BU of 6gaw by Molmil
Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the complete 55S ribosome.
分子名称: 12S ribosomal RNA, mitochondrial, 16S ribosomal RNA, ...
著者Kummer, E, Leibundgut, M, Boehringer, D, Ban, N.
登録日2018-04-13
公開日2018-08-22
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM.
Nature, 560, 2018
8KB0
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BU of 8kb0 by Molmil
Crystal structure of 01JD-AEAIIVAMV
分子名称: Beta2-microglobulin, MHC class I antigen alpha chain, peptide of AIV
著者Tang, Z, Zhang, N.
登録日2023-08-03
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The impact of micropolymorphism in Anpl-UAA on structural stability and peptide presentation.
Int.J.Biol.Macromol., 267, 2024
8KB1
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BU of 8kb1 by Molmil
Crystal structure of 11JD
分子名称: Beta2-microglobulin, MHC class I antigen, peptide of AIV
著者Tang, Z, Zhang, N.
登録日2023-08-03
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献The impact of micropolymorphism in Anpl-UAA on structural stability and peptide presentation.
Int.J.Biol.Macromol., 267, 2024
6FW0
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BU of 6fw0 by Molmil
Crystal structure of human monoamine oxidase B (MAO B) in complex with chlorophenyl-chromone-carboxamide
分子名称: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
登録日2018-03-05
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
6FWC
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Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide
分子名称: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
登録日2018-03-06
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
8TNE
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BU of 8tne by Molmil
Crystal structure of bacterial pectin methylesterase Pme8A from rumen Butyrivibrio
分子名称: 1,2-ETHANEDIOL, Pectinesterase
著者Carbone, V, Reilly, K, Sang, C, Schofield, L, Ronimus, R, Kelly, W.J, Attwood, G.T, Palevich, N.
登録日2023-08-01
公開日2023-08-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of Bacterial Pectin Methylesterases Pme8A and PmeC2 from Rumen Butyrivibrio .
Int J Mol Sci, 24, 2023
8SYF
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BU of 8syf by Molmil
Homology model of Acto-HMM complex in ADP-state. Chicken smooth muscle HMM and chicken pectoralis actin
分子名称: Actin, alpha skeletal muscle, Myosin light polypeptide 6, ...
著者Hojjatian, A, Taylor, D.W, Daneshparvar, N, Trybus, K.M, Taylor, K.A.
登録日2023-05-25
公開日2023-08-30
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (19 Å)
主引用文献Double-headed binding of myosin II to F-actin shows the effect of strain on head structure.
J.Struct.Biol., 215, 2023
5A4N
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BU of 5a4n by Molmil
Crystal structure of BPSL1147, a PC4 homolog from Burkholderia pseudomallei K96243 (tetragonal crystal form)
分子名称: BPSL1147, CHLORIDE ION
著者Werten, S, Bayer, N, Hinrichs, W.
登録日2015-06-11
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural Analysis and Knock-Out of a Burkholderia Pseudomallei Homolog of the Eukaryotic Transcription Coactivator Pc4.
Gene, 557, 2016
8TMS
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BU of 8tms by Molmil
Crystal structure of bacterial pectin methylesterase PmeC2 from rumen Butyrivibrio
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Pectinesterase
著者Carbone, V, Reilly, K, Sang, C, Schofield, L, Ronimus, R, Kelly, W.J, Attwood, G.T, Palevich, N.
登録日2023-07-30
公開日2023-08-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of Bacterial Pectin Methylesterases Pme8A and PmeC2 from Rumen Butyrivibrio .
Int J Mol Sci, 24, 2023
6G5N
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Crystal structure of human SP100 in complex with bromodomain-focused fragment XS039818e 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
分子名称: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2018-03-29
公開日2018-04-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.765 Å)
主引用文献Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018

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件を2024-08-28に公開中

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