5N0M
 
 | | hPAD4 crystal complex with BB-F-amidine | | 分子名称: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | | 著者 | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | | 登録日 | 2017-02-03 | | 公開日 | 2017-05-24 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
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5N0Y
 | | hPAD4 crystal complex with AFM-30a | | 分子名称: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | | 著者 | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | | 登録日 | 2017-02-03 | | 公開日 | 2017-05-24 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
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1THO
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5TVN
 | | Crystal structure of the LSD-bound 5-HT2B receptor | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL, ... | | 著者 | Wacker, D, Wang, S, McCorvy, J.D, Betz, R.M, Venkatakrishnan, A.J, Levit, A, Lansu, K, Schools, Z.L, Che, T, Nichols, D.E, Shoichet, B.K, Dror, R.O, Roth, B.L. | | 登録日 | 2016-11-09 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal Structure of an LSD-Bound Human Serotonin Receptor.
Cell, 168, 2017
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4B3R
 | | Crystal structure of the 30S ribosome in complex with compound 30 | | 分子名称: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranoside, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | | 著者 | Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C. | | 登録日 | 2012-07-26 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | 4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics
Nat.Commun., 5, 2014
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4B3T
 | | Crystal structure of the 30S ribosome in complex with compound 39 | | 分子名称: | (2S,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | | 著者 | Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C. | | 登録日 | 2012-07-26 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | 4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics
Nat.Commun., 5, 2014
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4B3M
 | | Crystal structure of the 30S ribosome in complex with compound 1 | | 分子名称: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | | 著者 | Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C. | | 登録日 | 2012-07-25 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | 4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics
Nat.Commun., 5, 2014
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5F5I
 | | Crystal Structure of human JMJD2A complexed with KDOOA011340 | | 分子名称: | 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | 著者 | Krojer, T, Vollmar, M, Crawley, L, Szykowska, A, Gileadi, C, Johansson, C, England, K, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2015-12-04 | | 公開日 | 2015-12-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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4BSM
 | | Crystal structure of the Nuclear Export Receptor CRM1 (exportin-1) lacking the C-terminal helical extension at 4.5A | | 分子名称: | EXPORTIN-1 | | 著者 | Dian, C, Bernaudat, F, Langer, K, Oliva, M.F, Fornerod, M, Schoehn, G, Muller, C.W, Petosa, C. | | 登録日 | 2013-06-10 | | 公開日 | 2013-07-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | | 主引用文献 | Structure of a Truncation Mutant of the Nuclear Export Factor Crm1 Provides Insights Into the Auto-Inhibitory Role of its C-Terminal Helix.
Structure, 21, 2013
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4ELY
 | | CCDBVFI:GYRA14EC | | 分子名称: | CHLORIDE ION, CcdB, DNA gyrase subunit A, ... | | 著者 | De Jonge, N, Simic, R, Buts, L, Haesaerts, S, Roelants, K, Garcia-Pino, A, Sterckx, Y, De Greve, H, Lah, J, Loris, R. | | 登録日 | 2012-04-11 | | 公開日 | 2012-05-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.932 Å) | | 主引用文献 | Alternative interactions define gyrase specificity in the CcdB family.
Mol.Microbiol., 84, 2012
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1BOE
 | | STRUCTURE OF THE IGF BINDING DOMAIN OF THE INSULIN-LIKE GROWTH FACTOR-BINDING PROTEIN-5 (IGFBP-5): IMPLICATIONS FOR IGF AND IGF-I RECEPTOR INTERACTIONS | | 分子名称: | PROTEIN (INSULIN-LIKE GROWTH FACTOR-BINDING PROTEIN-5 (IGFBP-5)) | | 著者 | Kalus, W, Zweckstetter, M, Renner, C, Sanchez, Y, Georgescu, J, Grol, M, Demuth, D, Schumacherdony, C, Lang, K, Holak, T.H. | | 登録日 | 1998-07-30 | | 公開日 | 1998-12-16 | | 最終更新日 | 2022-02-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the IGF-binding domain of the insulin-like growth factor-binding protein-5 (IGFBP-5): implications for IGF and IGF-I receptor interactions.
EMBO J., 17, 1998
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2VYW
 | | Hemoglobin (Hb2) from trematode Fasciola hepatica | | 分子名称: | HEMOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Dewilde, S, Ioanitescu, A.I, Kiger, L, Gilany, K, Marden, M.C, Van Doorslaer, S, Vercruysse, J, Pesce, A, Nardini, M, Bolognesi, M, Moens, L. | | 登録日 | 2008-07-29 | | 公開日 | 2008-08-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Hemoglobins of the Trematodes Fasciola Hepatica and Paramphistomum Epiclitum: A Molecular Biological, Physico-Chemical, Kinetic, and Vaccination Study.
Protein Sci., 17, 2008
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5A8G
 | | Crystal structure of the wild-type Staphylococcus aureus N- acetylneurminic acid lyase in complex with fluoropyruvate | | 分子名称: | N-ACETYLNEURAMINATE LYASE | | 著者 | Stockwell, J, Daniels, A.D, Windle, C.L, Harman, T, Woodhall, T, Trinh, C.H, Lebel, T, Pearson, A.R, Mulholland, K, Berry, A, Nelson, A. | | 登録日 | 2015-07-15 | | 公開日 | 2015-11-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Evaluation of Fluoropyruvate as Nucleophile in Reactions Catalysed by N-Acetyl Neuraminic Acid Lyase Variants: Scope, Limitations and Stereoselectivity.
Org.Biomol.Chem., 14, 2016
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4BSN
 | | Crystal structure of the Nuclear Export Receptor CRM1 (exportin-1) lacking the C-terminal helical extension at 4.1A | | 分子名称: | EXPORTIN-1 | | 著者 | Dian, C, Bernaudat, F, Langer, K, Oliva, M.F, Fornerod, M, Schoehn, G, Muller, C.W, Petosa, C. | | 登録日 | 2013-06-11 | | 公開日 | 2013-07-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (4.1 Å) | | 主引用文献 | Structure of a Truncation Mutant of the Nuclear Export Factor Crm1 Provides Insights Into the Auto-Inhibitory Role of its C-Terminal Helix.
Structure, 21, 2013
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4ELZ
 | | CCDBVFI:GYRA14VFI | | 分子名称: | CcdB, DNA gyrase subunit A, GLYCEROL | | 著者 | De Jonge, N, Simic, M, Buts, L, Haesaerts, S, Roelants, K, Garcia-Pino, A, Sterckx, Y, De Greve, H, Lah, J, Loris, R. | | 登録日 | 2012-04-11 | | 公開日 | 2012-05-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Alternative interactions define gyrase specificity in the CcdB family.
Mol.Microbiol., 84, 2012
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4BOF
 | | Crystal structure of arginine deiminase from group A streptococcus | | 分子名称: | ARGININE DEIMINASE, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | 著者 | Henningham, A, Ericsson, D.J, Langer, K, Casey, L, Jovcevski, B, Chhatwal, G.S, Aquilina, J.A, Batzloff, M.R, Kobe, B, Walker, M.J. | | 登録日 | 2013-05-20 | | 公開日 | 2013-08-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Structure-informed design of an enzymatically inactive vaccine component for group A Streptococcus.
MBio, 4, 2013
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3C3Z
 | | Crystal structure of HIV-1 subtype F DIS extended duplex RNA bound to ribostamycin | | 分子名称: | HIV-1 subtype F genomic RNA, RIBOSTAMYCIN | | 著者 | Freisz, S, Lang, K, Micura, R, Dumas, P, Ennifar, E. | | 登録日 | 2008-01-29 | | 公開日 | 2008-05-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Binding of aminoglycoside antibiotics to the duplex form of the HIV-1 genomic RNA dimerization initiation site.
Angew.Chem.Int.Ed.Engl., 47, 2008
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4AQY
 | | Structure of ribosome-apramycin complexes | | 分子名称: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | 著者 | Matt, T, Ng, C.L, Lang, K, Sha, S.H, Akbergenov, R, Shcherbakov, D, Meyer, M, Duscha, S, Xie, J, Dubbaka, S.R, Perez-Fernandez, D, Vasella, A, Ramakrishnan, V, Schacht, J, Bottger, E.C. | | 登録日 | 2012-04-20 | | 公開日 | 2012-07-18 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Dissociation of Antibacterial Activity and Aminoglycoside Ototoxicity in the 4-Monosubstituted 2-Deoxystreptamine Apramycin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4B3S
 | | Crystal structure of the 30S ribosome in complex with compound 37 | | 分子名称: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranoside, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | | 著者 | Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C. | | 登録日 | 2012-07-26 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | 4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics
Nat.Commun., 5, 2014
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6E0Y
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6E0Z
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6E17
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6E0X
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2ZJ1
 | | Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 3'-keto-aristeromycin | | 分子名称: | (2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C. | | 登録日 | 2008-02-29 | | 公開日 | 2008-09-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
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2ZJ0
 | | Crystal structure of Mycobacterium tuberculosis S-Adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 2-fluoroadenosine | | 分子名称: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C. | | 登録日 | 2008-02-29 | | 公開日 | 2008-09-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
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