3AR8
 
 | | Calcium pump crystal structure with bound AlF4, TNP-AMP and TG | | Descriptor: | 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate), MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | | Authors: | Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S. | | Deposit date: | 2010-11-24 | | Release date: | 2011-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+
Proc.Natl.Acad.Sci.USA, 108, 2011
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2I1N
 | | Crystal structure of the 1st PDZ domain of Human DLG3 | | Descriptor: | Discs, large homolog 3, SODIUM ION | | Authors: | Turnbull, A.P, Phillips, C, Bunkoczi, G, Debreczeni, J, Ugochukwu, E, Pike, A.C.W, Gorrec, F, Umeano, C, Elkins, J, Berridge, G, Savitsky, P, Gileadi, O, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-08-14 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
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5T52
 | | LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH GALNAC | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, ... | | Authors: | Lubkowski, J, Wlodawer, A. | | Deposit date: | 2016-08-30 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth.
FEBS J., 284, 2017
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3ATL
 | | Crystal structure of trypsin complexed with benzamidine | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Tanaka, I. | | Deposit date: | 2011-01-05 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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6LQG
 | | Human gamma-secretase in complex with small molecule Avagacestat | | Descriptor: | (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y. | | Deposit date: | 2020-01-13 | | Release date: | 2021-01-27 | | Last modified: | 2021-02-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
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5T5J
 | | LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH TN-PEPTIDE | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, ... | | Authors: | Lubkowski, J, Wlodawer, A. | | Deposit date: | 2016-08-31 | | Release date: | 2016-12-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth.
FEBS J., 284, 2017
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1KIU
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3AR2
 | | Calcium pump crystal structure with bound AMPPCP and Ca2+ | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S. | | Deposit date: | 2010-11-24 | | Release date: | 2011-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+
Proc.Natl.Acad.Sci.USA, 108, 2011
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5T5P
 | | LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH TN-PEPTIDE | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, ... | | Authors: | Lubkowski, J, Wlodawer, A. | | Deposit date: | 2016-08-31 | | Release date: | 2016-12-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth.
FEBS J., 284, 2017
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2DXS
 | | Crystal structure of HCV NS5B RNA polymerase complexed with a tetracyclic inhibitor | | Descriptor: | Genome polyprotein, N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE | | Authors: | Adachi, T, Tsuruha, J, Doi, S, Murase, K, Ikegashira, K, Watanabe, S, Uehara, K, Orita, T, Nomura, A, Kamada, M. | | Deposit date: | 2006-08-30 | | Release date: | 2006-12-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Conformationally Constrained Tetracyclic Compounds as Potent Hepatitis C Virus NS5B RNA Polymerase Inhibitors
J.Med.Chem., 49, 2006
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2DYF
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1KCF
 | | Crystal Structure of the Yeast Mitochondrial Holliday Junction Resolvase, Ydc2 | | Descriptor: | HYPOTHETICAL 30.2 KD PROTEIN C25G10.02 IN CHROMOSOME I, SULFATE ION | | Authors: | Ceschini, S, Keeley, A, McAlister, M.S.B, Oram, M, Phelan, J, Pearl, L.H, Tsaneva, I.R, Barrett, T.E. | | Deposit date: | 2001-11-08 | | Release date: | 2001-11-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the fission yeast mitochondrial Holliday junction resolvase Ydc2.
EMBO J., 20, 2001
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1CMI
 | | STRUCTURE OF THE HUMAN PIN/LC8 DIMER WITH A BOUND PEPTIDE | | Descriptor: | Dynein light chain 1, cytoplasmic, Nitric oxide synthase 1 | | Authors: | Liang, J, Guo, W, Jaffery, S, Snyder, S, Clardy, J. | | Deposit date: | 1999-05-06 | | Release date: | 2000-02-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the PIN/LC8 dimer with a bound peptide.
Nat.Struct.Biol., 6, 1999
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6LZ0
 | | Cryo-EM structure of human MCT1 in complex with Basigin-2 in the presence of lactate | | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, Basigin, Monocarboxylate transporter 1 | | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | | Deposit date: | 2020-02-16 | | Release date: | 2020-12-23 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
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3BER
 | | Human DEAD-box RNA-helicase DDX47, conserved domain I in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, Probable ATP-dependent RNA helicase DDX47, ... | | Authors: | Karlberg, T, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-11-20 | | Release date: | 2007-12-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
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3B9G
 | | Crystal structure of loop deletion mutant of Trypanosoma vivax nucleoside hydrolase (3GTvNH) in complex with ImmH | | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, IAG-nucleoside hydrolase, ... | | Authors: | Vandemeulebroucke, A, De Vos, S, Van Holsbeke, E, Steyaert, J, Versees, W. | | Deposit date: | 2007-11-05 | | Release date: | 2008-04-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Flexible Loop as a Functional Element in the Catalytic Mechanism of Nucleoside Hydrolase from Trypanosoma vivax.
J.Biol.Chem., 283, 2008
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6M10
 | | Crystal structure of PA4853 (Fis) from Pseudomonas aeruginosa | | Descriptor: | Putative Fis-like DNA-binding protein | | Authors: | Zhang, H, Gao, Z, Zhou, J, Dong, Y. | | Deposit date: | 2020-02-24 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.985 Å) | | Cite: | Crystal structure of the nucleoid-associated protein Fis (PA4853) from Pseudomonas aeruginosa.
Acta Crystallogr.,Sect.F, 76, 2020
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6ME9
 | | XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon | | Descriptor: | N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION | | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
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3BD9
 | | human 3-O-sulfotransferase isoform 5 with bound PAP | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Heparan sulfate glucosamine 3-O-sulfotransferase 5 | | Authors: | Xu, D, Moon, A.F, Song, D, Liu, J, Pedersen, L.C. | | Deposit date: | 2007-11-14 | | Release date: | 2008-01-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Engineering sulfotransferases to modify heparan sulfate.
Nat.Chem.Biol., 4, 2008
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3BE9
 | | Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities | | Descriptor: | 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one, Casein kinase II subunit alpha | | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Lu, J, Averill, A, Almassy, R, Chu, S. | | Deposit date: | 2007-11-16 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities.
Bioorg.Med.Chem.Lett., 18, 2008
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6M6P
 | | Structure of Marine bacterial laminarinase mutant E135A in complex with 1,3-beta-cellotriosyl-glucose | | Descriptor: | CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose, laminarinase | | Authors: | Yang, J, Xu, Y, Tanokura, M, Long, L, Miyakawa, T. | | Deposit date: | 2020-03-16 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
Appl.Environ.Microbiol., 86, 2020
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2HW2
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5T54
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2EBI
 | | Arabidopsis GT-1 DNA-binding domain with T133D phosphomimetic mutation | | Descriptor: | DNA binding protein GT-1 | | Authors: | Nagata, T, Noto, K, Niyada, E, Ikeda, Y, Yamamoto, Y, Uesugi, S, Murata, J, Hiratsuka, K, Katahira, M. | | Deposit date: | 2007-02-08 | | Release date: | 2008-02-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the trihelix DNA-binding domains of the wild-type and a phosphomimetic mutant of Arabidopsis GT-1: mechanism for an increase in DNA-binding affinity through phosphorylation.
Proteins, 78, 2010
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2AOB
 | | Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain | | Descriptor: | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID, Growth factor receptor-bound protein 2 | | Authors: | Phan, J, Shi, Z.D, Burke, T.R, Waugh, D.S. | | Deposit date: | 2005-08-12 | | Release date: | 2005-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
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