7BWG
 
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2VKQ
 | | Crystal structure of human cytosolic 5'-nucleotidase III (cN-III, NT5C3) in complex with beryllium trifluoride | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, CYTOSOLIC 5'-NUCLEOTIDASE III, MAGNESIUM ION | | Authors: | Wallden, K, Moche, M, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-12-21 | | Release date: | 2008-01-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Human Cytosolic 5'- Nucleotidase III
To be Published
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2V16
 | | Crystal Structure of Renin with Inhibitor 3 | | Descriptor: | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE, RENIN | | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | | Deposit date: | 2007-05-22 | | Release date: | 2008-07-08 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
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2VMG
 | | The structure of CBM51 from Clostridium perfringens GH95 in complex with methyl-galactose | | Descriptor: | CALCIUM ION, FIBRONECTIN TYPE III DOMAIN PROTEIN, methyl beta-D-galactopyranoside | | Authors: | Gregg, K, Finn, R, Abbott, D.W, Boraston, A.B. | | Deposit date: | 2008-01-25 | | Release date: | 2008-02-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Divergent Modes of Glycan Recognition by a New Family of Carbohydrate-Binding Modules
J.Biol.Chem., 283, 2008
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7C0M
 | | Human cGAS-nucleosome complex | | Descriptor: | Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1-B/E, ... | | Authors: | Kujirai, T, Zierhut, C, Takizawa, Y, Kim, R, Negishi, L, Uruma, N, Hirai, S, Funabiki, H, Kurumizaka, H. | | Deposit date: | 2020-05-01 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis for the inhibition of cGAS by nucleosomes.
Science, 370, 2020
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7BQ1
 | | X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin)-SRC1 coactivator peptide co-crystals obtained by co-crystallization | | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, PALMITIC ACID, ... | | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | | Deposit date: | 2020-03-23 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.521 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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2XAS
 | | Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2580, 14e) | | Descriptor: | 3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | | Authors: | Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
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2WPO
 | | HCMV protease inhibitor complex | | Descriptor: | (2S)-2-(3,3-dimethylbutanoylamino)-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide, HUMAN CYTOMEGALOVIRUS PROTEASE | | Authors: | Tong, L, Qian, C, Massariol, M.-J, Deziel, R, Yoakim, C, Lagace, L. | | Deposit date: | 1998-08-04 | | Release date: | 1999-08-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Conserved mode of peptidomimetic inhibition and substrate recognition of human cytomegalovirus protease.
Nat.Struct.Biol., 5, 1998
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7BRV
 | | Bovine Pancreatic Trypsin with 4-Bromobenzamidine (Room Temperature) | | Descriptor: | 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | | Authors: | Takeda, R, Ito, S, Maeki, M, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | Deposit date: | 2020-03-30 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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7BRZ
 | | Bovine Pancreatic Trypsin with 2-Methyltryptamine (Room Temperature) | | Descriptor: | 2-(2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | Deposit date: | 2020-03-30 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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2XA6
 | | Structural basis for homodimerization of the Src-associated during mitosis, 68 kD protein (Sam68) Qua1 domain | | Descriptor: | KH DOMAIN-CONTAINING,RNA-BINDING,SIGNAL TRANSDUCTION-ASSOCIATED PROTEIN 1 | | Authors: | Meyer, N.H, Tripsianes, K, Vincendeaux, M, Madl, T, Kateb, F, Brack-Werner, R, Sattler, M. | | Deposit date: | 2010-03-29 | | Release date: | 2010-07-07 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural basis for homodimerization of the Src-associated during mitosis, 68-kDa protein (Sam68) Qua1 domain.
J. Biol. Chem., 285, 2010
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7BS7
 | | Bovine Pancreatic Trypsin with aniline (Cryo) | | Descriptor: | ANILINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | Deposit date: | 2020-03-30 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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7BT2
 | | Crystal structure of the SERCA2a in the E2.ATP state | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Kabashima, Y, Ogawa, H, Nakajima, R, Toyoshima, C. | | Deposit date: | 2020-03-31 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.00002861 Å) | | Cite: | What ATP binding does to the Ca2+pump and how nonproductive phosphoryl transfer is prevented in the absence of Ca2.
Proc.Natl.Acad.Sci.USA, 117, 2020
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2WHV
 | | CRYSTAL STRUCTURE OF MOUSE CADHERIN-23 EC1-2 (ALL CATION BINDING SITES OCCUPIED BY CALCIUM) | | Descriptor: | CADHERIN-23, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Sotomayor, M, Weihofen, W, Gaudet, R, Corey, D.P. | | Deposit date: | 2009-05-07 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structural Determinants of Cadherin-23 Function in Hearing and Deafness.
Neuron, 66, 2010
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2WMW
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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7BPY
 | | X-ray structure of human PPARalpha ligand binding domain-clofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization | | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 2-(4-chloranylphenoxy)-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | | Deposit date: | 2020-03-23 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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2WMT
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2WMV
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2WJZ
 | | Crystal structure of (HisH) K181A Y138A mutant of imidazoleglycerolphosphate synthase (HisH HisF) which displays constitutive glutaminase activity | | Descriptor: | IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE HISF, IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE SUBUNIT HISH, PHOSPHATE ION | | Authors: | Vega, M.C, List, F, Razeto, A, Haeger, M.C, Babinger, K, Kuper, J, Sterner, R, Wilmanns, M. | | Deposit date: | 2009-06-02 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Catalysis Uncoupling in a Glutamine Amidotransferase Bienzyme by Unblocking the Glutaminase Active Site.
Chem.Biol., 19, 2012
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2WIY
 | | Cytochrome P450 XplA heme domain P21212 | | Descriptor: | 1,2-ETHANEDIOL, CYTOCHROME P450-LIKE PROTEIN XPLA, IMIDAZOLE, ... | | Authors: | Sabbadin, F, Jackson, R, Bruce, N.C, Grogan, G. | | Deposit date: | 2009-05-18 | | Release date: | 2009-08-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | The 1.5-A Structure of Xpla-Heme, an Unusual Cytochrome P450 Heme Domain that Catalyzes Reductive Biotransformation of Royal Demolition Explosive.
J.Biol.Chem., 284, 2009
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7BS6
 | | Bovine Pancreatic Trypsin with 2-Methyltryptamine (Cryo) | | Descriptor: | 2-(2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | Deposit date: | 2020-03-30 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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2WMS
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | SERINE/THREONINE-PROTEIN KINASE CHK1, [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2WKE
 | | Crystal structure of the Actinomadura R39 DD-peptidase inhibited by 6- beta-iodopenicillanate. | | Descriptor: | (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid, COBALT (II) ION, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, ... | | Authors: | Sauvage, E, Herman, R, Kerff, F, Charlier, P. | | Deposit date: | 2009-06-10 | | Release date: | 2009-12-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of the Inhibition of Class a Beta-Lactamases and Penicillin-Binding Proteins by 6-Beta-Iodopenicillanate.
J.Am.Chem.Soc., 131, 2009
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2WNS
 | | Human Orotate phosphoribosyltransferase (OPRTase) domain of Uridine 5' -monophosphate synthase (UMPS) in complex with its substrate orotidine 5'-monophosphate (OMP) | | Descriptor: | CHLORIDE ION, OROTATE PHOSPHORIBOSYLTRANSFERASE, OROTIDINE-5'-MONOPHOSPHATE | | Authors: | Moche, M, Roos, A, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotyenova, T, Kotzch, A, Nielsen, T.K, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, VanDenBerg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P. | | Deposit date: | 2009-07-19 | | Release date: | 2009-08-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human Orotate Phosphoribosyltransferase (Oprtase) Domain of Uridine 5'-Monophosphate Synthase (Umps) in Complex with its Substrate Orotidine 5'-Monophosphate (Omp)
To be Published
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2WJP
 | | CRYSTAL STRUCTURE OF MURD LIGASE IN COMPLEX WITH D-GLU CONTAINING RHODANINE INHIBITOR | | Descriptor: | AZIDE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Tomasic, T, Zidar, N, Sink, R, Kovac, A, Rupnik, V, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Muller-Premru, M, Gobec, S, Zega, A, Peterlin-Masic, L, Kikelj, D. | | Deposit date: | 2009-05-28 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Novel 5-Benzylidenerhodanine and 5-Benzylidenethiazolidine-2,4-Dione Inhibitors of Murd Ligase.
J.Med.Chem., 53, 2010
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