1BVB
| 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
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4EJ0
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4E84
| 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
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3IEX
| 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
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3ISS
| 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
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4GQU
| 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
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4GR9
| 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
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3IXX
| 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
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1BA8
| 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
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1CA8
| 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
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4HUZ
| 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
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3J4P
| 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
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3J1S
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1TQ1
| 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
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6LAF
| 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
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6F3B
| 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
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7KFA
| 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
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6F23
| 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
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6RCF
| 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
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6EUU
| 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
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6EV0
| 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
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5FTO
| 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
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6RCJ
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1KI4
| 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
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8EP4
| 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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