2RF5
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![BU of 2rf5 by Molmil](/molmil-images/mine/2rf5) | Crystal structure of human tankyrase 1- catalytic PARP domain | Descriptor: | GLYCEROL, Tankyrase-1, ZINC ION | Authors: | Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | Deposit date: | 2007-09-28 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Zinc binding catalytic domain of human tankyrase 1. J.Mol.Biol., 379, 2008
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3VQU
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![BU of 3vqu by Molmil](/molmil-images/mine/3vqu) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide | Descriptor: | 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y. | Deposit date: | 2012-03-30 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation. Acs Med.Chem.Lett., 3, 2012
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6ZLE
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![BU of 6zle by Molmil](/molmil-images/mine/6zle) | |
3VT7
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![BU of 3vt7 by Molmil](/molmil-images/mine/3vt7) | Crystal structures of rat VDR-LBD with W282R mutation | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | Authors: | Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. | Deposit date: | 2012-05-19 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands. J.Med.Chem., 56, 2013
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4WCC
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![BU of 4wcc by Molmil](/molmil-images/mine/4wcc) | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation P225G | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2014-09-04 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
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4WDB
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![BU of 4wdb by Molmil](/molmil-images/mine/4wdb) | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation R307Q, complexed with 2'-AMP | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2014-09-08 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
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2RGU
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![BU of 2rgu by Molmil](/molmil-images/mine/2rgu) | Crystal structure of complex of human DPP4 and inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione, Dipeptidyl peptidase 4 | Authors: | Nar, H, Himmelsbach, F, Eckhardt, M. | Deposit date: | 2007-10-05 | Release date: | 2007-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 8-(3-(R)-Aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydropurine-2,6-dione (BI 1356), a Highly Potent, Selective, Long-Acting, and Orally Bioavailable DPP-4 Inhibitor for the Treatment of Type 2 Diabetes. J.Med.Chem., 50, 2007
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4UT3
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![BU of 4ut3 by Molmil](/molmil-images/mine/4ut3) | X-ray structure of the human PP1 gamma catalytic subunit treated with hydrogen peroxide | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT | Authors: | Zeh Silva, M, Kopec, J, Fotinou, D, Steiner, R.A. | Deposit date: | 2014-07-17 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Targeted Redox Inhibition of Protein Phosphatase 1 by Nox4 Regulates Eif2Alpha-Mediated Stress Signaling. Embo J., 35, 2016
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4UT2
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![BU of 4ut2 by Molmil](/molmil-images/mine/4ut2) | X-ray structure of the human PP1 gamma catalytic subunit treated with ascorbate | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT | Authors: | Kopec, J, Zeh Silva, M, Fotinou, C, Steiner, R.A. | Deposit date: | 2014-07-17 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Targeted Redox Inhibition of Protein Phosphatase 1 by Nox4 Regulates Eif2Alpha-Mediated Stress Signaling. Embo J., 35, 2016
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2RNQ
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3VT5
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![BU of 3vt5 by Molmil](/molmil-images/mine/3vt5) | Crystal structures of rat VDR-LBD with R270L mutation | Descriptor: | (1R,2E,3R,5Z,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | Authors: | Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. | Deposit date: | 2012-05-19 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands. J.Med.Chem., 56, 2013
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4WBL
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![BU of 4wbl by Molmil](/molmil-images/mine/4wbl) | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation F235A | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, GLYCEROL | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2014-09-03 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
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3VT6
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![BU of 3vt6 by Molmil](/molmil-images/mine/3vt6) | Crystal structure of rat VDR-LBD with 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 | Descriptor: | (1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | Authors: | Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. | Deposit date: | 2012-05-19 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands. J.Med.Chem., 56, 2013
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2FPD
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![BU of 2fpd by Molmil](/molmil-images/mine/2fpd) | |
6ZG1
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![BU of 6zg1 by Molmil](/molmil-images/mine/6zg1) | SARM1 SAM1-2 domains | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Dessau, M, Mim, C, Isupov, M.N, Zalk, R, Hons, M, Opatowsky, Y. | Deposit date: | 2020-06-18 | Release date: | 2020-11-11 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Structural basis for SARM1 inhibition and activation under energetic stress. Elife, 9, 2020
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6ZFX
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![BU of 6zfx by Molmil](/molmil-images/mine/6zfx) | hSARM1 GraFix-ed | Descriptor: | (~{E})-4-methylnon-4-enedial, NAD(+) hydrolase SARM1 | Authors: | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Dessau, M, Mim, C, Isupov, M.N, Zalk, R, Hons, M, Opatowsky, Y. | Deposit date: | 2020-06-18 | Release date: | 2020-11-18 | Last modified: | 2022-11-09 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Structural basis for SARM1 inhibition and activation under energetic stress. Elife, 9, 2020
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4GK7
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![BU of 4gk7 by Molmil](/molmil-images/mine/4gk7) | yeast 20S proteasome in complex with the Syringolin-Glidobactin chimera | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | Authors: | Groll, M, Stein, M.L, Bachmann, A. | Deposit date: | 2012-08-10 | Release date: | 2012-08-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Activity enhancement of the synthetic syrbactin proteasome inhibitor hybrid and biological evaluation in tumor cells. Biochemistry, 51, 2012
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2FPE
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![BU of 2fpe by Molmil](/molmil-images/mine/2fpe) | Conserved dimerization of the ib1 src-homology 3 domain | Descriptor: | C-jun-amino-terminal kinase interacting protein 1, HEXAETHYLENE GLYCOL, SULFATE ION, ... | Authors: | Guenat, S, Dar, I, Bonny, C, Kastrup, J.S, Gajhede, M, Kristensen, O. | Deposit date: | 2006-01-16 | Release date: | 2006-02-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A unique set of SH3-SH3 interactions controls IB1 homodimerization Embo J., 25, 2006
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2G1Y
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![BU of 2g1y by Molmil](/molmil-images/mine/2g1y) | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-15 | Release date: | 2006-06-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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6ZCF
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![BU of 6zcf by Molmil](/molmil-images/mine/6zcf) | |
6ZCH
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![BU of 6zch by Molmil](/molmil-images/mine/6zch) | |
4GM2
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![BU of 4gm2 by Molmil](/molmil-images/mine/4gm2) | The crystal structure of a peptidase from plasmodium falciparum | Descriptor: | ATP-dependent Clp protease proteolytic subunit | Authors: | El Bakkouri, M, Jung, P, Wernimont, A.K, Calmettes, C, Hui, R, Houry, W.A, Structural Genomics Consortium (SGC) | Deposit date: | 2012-08-15 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights into the Inactive Subunit of the Apicoplast-localized Caseinolytic Protease Complex of Plasmodium falciparum. J.Biol.Chem., 288, 2013
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2G1R
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![BU of 2g1r by Molmil](/molmil-images/mine/2g1r) | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-14 | Release date: | 2006-06-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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5DZC
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![BU of 5dzc by Molmil](/molmil-images/mine/5dzc) | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - AMPPNP bound | Descriptor: | CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ... | Authors: | Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, He, H, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-25 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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1J02
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![BU of 1j02 by Molmil](/molmil-images/mine/1j02) | Crystal Structure of Rat Heme Oxygenase-1-Heme Bound to NO | Descriptor: | HEME OXYGENASE 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugishima, M, Fukuyama, K. | Deposit date: | 2002-10-28 | Release date: | 2003-09-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1. Biochemistry, 42, 2003
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