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PDB: 52230 件

1BVB
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HEME-PACKING MOTIFS REVEALED BY THE CRYSTAL STRUCTURE OF CYTOCHROME C554 FROM NITROSOMONAS EUROPAEA
分子名称: CYTOCHROME C-554, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Iverson, T.M, Arciero, D.M, Hsu, B.T, Logan, M.S.P, Hooper, A.B, Rees, D.C.
登録日1998-09-16
公開日1999-05-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Heme packing motifs revealed by the crystal structure of the tetra-heme cytochrome c554 from Nitrosomonas europaea.
Nat.Struct.Biol., 5, 1998
4EJ0
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Crystal structure of ADP-L-glycero-D-manno-heptose-6-epimerase from Burkholderia thailandensis
分子名称: ADP-L-glycero-D-manno-heptose-6-epimerase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Kim, M.S, Shin, D.H.
登録日2012-04-06
公開日2013-04-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.609 Å)
主引用文献Structure and in silico substrate-binding mode of ADP-L-glycero-D-manno-heptose 6-epimerase from Burkholderia thailandensis.
Acta Crystallogr.,Sect.D, 69, 2013
4E84
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Crystal Structure of Burkholderia cenocepacia HldA
分子名称: 1,7-di-O-phosphono-D-glycero-beta-D-manno-heptopyranose, 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose, CHLORIDE ION, ...
著者Lee, T.-W, Junop, M.S.
登録日2012-03-19
公開日2012-12-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties.
J.Med.Chem., 56, 2013
3IEX
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Schistosoma Purine nucleoside phosphorylase in complex with guanosine
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, GUANOSINE, ...
著者Castilho, M.S, Pereira, H.M, Oliva, G, Andricopulo, A.D.
登録日2009-07-23
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for selective inhibition of purine nucleoside phosphorylase from Schistosoma mansoni: kinetic and structural studies
Bioorg.Med.Chem., 18, 2010
3ISS
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Crystal structure of enolpyruvyl-UDP-GlcNAc synthase (MurA):UDP-N-acetylmuramic acid:phosphite from Escherichia coli
分子名称: PHOSPHITE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
著者Jackson, S.G, Zhang, F, Chindemi, P, Junop, M.S, Berti, P.J.
登録日2009-08-27
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Evidence of Kinetic Control of Ligand Binding and Staged Product Release in MurA (Enolpyruvyl UDP-GlcNAc Synthase)-Catalyzed Reactions .
Biochemistry, 48, 2009
4GQU
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Crystal structure of HisB from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION
著者Ahangar, M.S, Vyas, R, Nasir, N, Biswal, B.K.
登録日2012-08-24
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal structures of the native, substrate- bound and inhibited forms of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase
Acta Crystallogr.,Sect.D, 2013
4GR9
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Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-[(3R)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide, ...
著者Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S.
登録日2012-08-24
公開日2013-07-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.291 Å)
主引用文献Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation.
Bioorg.Med.Chem.Lett., 22, 2012
3IXX
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The pseudo-atomic structure of West Nile immature virus in complex with Fab fragments of the anti-fusion loop antibody E53
分子名称: E53 Fab Fragment (chain H), E53 Fab Fragment (chain L), Envelope protein E, ...
著者Cherrier, M.V, Kaufmann, B, Nybakken, G.E, Lok, S.M, Warren, J.T, Nelson, C.A, Kostyuchenko, V.A, Holdaway, H.A, Chipman, P.R, Kuhn, R.J, Diamond, M.S, Rossmann, M.G, Fremont, D.H.
登録日2009-02-26
公開日2009-10-27
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (15 Å)
主引用文献Structural basis for the preferential recognition of immature flaviviruses by a fusion-loop antibody
Embo J., 28, 2009
1BA8
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THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, THROMBIN, ...
著者Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
登録日1998-04-23
公開日1999-04-27
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1CA8
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Thrombin inhibitors with rigid tripeptidyl aldehydes
分子名称: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ...
著者Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
登録日1998-04-27
公開日1999-04-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes
Biochemistry, 37, 1998
4HUZ
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2,6-Dichloro-p-hydroquinone 1,2-Dioxygenase
分子名称: 2,6-dichloro-p-hydroquinone 1,2-dioxygenase, FE (III) ION, SULFATE ION
著者Hayes, R.P, Nissen, M.S, Green, A.R, Lewis, K.M, Xun, L, Kang, C.
登録日2012-11-05
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural characterization of 2,6-dichloro-p-hydroquinone 1,2-dioxygenase (PcpA) from Sphingobium chlorophenolicum, a new type of aromatic ring-cleavage enzyme.
Mol.Microbiol., 88, 2013
3J4P
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Electron Microscopy Analysis of a Disaccharide Analog complex Reveals Receptor Interactions of Adeno-Associated Virus
分子名称: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Capsid protein VP1, MAGNESIUM ION, ...
著者Xie, Q, Chapman, M.S.
登録日2013-09-10
公開日2013-10-16
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Electron microscopy analysis of a disaccharide analog complex reveals receptor interactions of adeno-associated virus.
J.Struct.Biol., 184, 2013
3J1S
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Structure of adeno-associated virus-2 in complex with neutralizing monoclonal antibody A20
分子名称: A20 heavy chain, A20 light chain, Capsid protein VP1
著者Chapman, M.S, McCraw, D.M.
登録日2012-05-23
公開日2012-06-06
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献Structure of adeno-associated virus-2 in complex with neutralizing monoclonal antibody A20.
Virology, 431, 2012
1TQ1
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Solution structure of At5g66040, a putative protein from Arabidosis Thaliana
分子名称: senescence-associated family protein
著者Cornilescu, C.C, Cornilescu, G, Singh, S, Lee, M.S, Tyler, E.M, Shahan, M.N, Vinarov, D, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
登録日2004-06-16
公開日2004-06-29
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a single-domain thiosulfate sulfurtransferase from Arabidopsis thaliana.
Protein Sci., 15, 2006
6LAF
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Crystal structure of the core domain of Amuc_1100 from Akkermansia muciniphila
分子名称: Amuc_1100, SULFATE ION
著者Wang, J, Xiang, R, Zhang, M, Wang, M.
登録日2019-11-12
公開日2020-08-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献The variable oligomeric state of Amuc_1100 from Akkermansia muciniphila.
J.Struct.Biol., 212, 2020
6F3B
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Crystal structure of human carbonic anhydrase I in complex with the 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea inhibitor
分子名称: 1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea, ACETATE ION, Carbonic anhydrase 1, ...
著者Ferraroni, M, Supuran, C.T, Chiapponi, D, Bozdag, M.
登録日2017-11-28
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX.
J. Med. Chem., 61, 2018
7KFA
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PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ...
著者Chopra, R, Xu, M, Spraggon, G.
登録日2020-10-13
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
6F23
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Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative)
分子名称: 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ...
著者Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
登録日2017-11-23
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6RCF
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ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OH
分子名称: 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid, NITRATE ION, Protein enabled homolog
著者Barone, M, Roske, Y.
登録日2019-04-11
公開日2020-05-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6EUU
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The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK29)
分子名称: (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ...
著者Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-10-31
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EV0
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The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (AC129)
分子名称: ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, ...
著者Begum, A, Hall, M, Grundstrom, C, Cairns, A.G, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-10-31
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
5FTO
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Crystal structure of the ALK kinase domain in complex with Entrectinib
分子名称: ALK TYROSINE KINASE RECEPTOR, Entrectinib
著者Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P.
登録日2016-01-14
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
6RCJ
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ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OMe
分子名称: GLYCEROL, NITRATE ION, Protein enabled homolog, ...
著者Barone, M, Roske, Y.
登録日2019-04-11
公開日2020-05-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
1KI4
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CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOTHIENYLDEOXYURIDINE
分子名称: 5-BROMOTHIENYLDEOXYURIDINE, SULFATE ION, THYMIDINE KINASE
著者Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R.
登録日1998-05-18
公開日1998-12-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
8EP4
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Structure of Bacple_01703
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
著者Ulaganathan, T, Cygler, M.
登録日2022-10-05
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023

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