5D1J
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8BVO
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3E7Z
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![BU of 3e7z by Molmil](/molmil-images/mine/3e7z) | Structure of human insulin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Timofeev, V.I, Lyashenko, A.V, Kislitsyn, Y.A, Baidus, A.N, Kuranova, I.P. | Deposit date: | 2008-08-19 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of human insulin To be published
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5D5C
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![BU of 5d5c by Molmil](/molmil-images/mine/5d5c) | In meso in situ serial X-ray crystallography structure of lysozyme at 100 K | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ... | Authors: | Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-08-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Acta Crystallogr D Struct Biol, 72, 2016
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7ZJF
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![BU of 7zjf by Molmil](/molmil-images/mine/7zjf) | R399E, a mutated form of GDF5, for disease modification of osteoarthritis | Descriptor: | Growth/differentiation factor 5 | Authors: | Gigout, A, Wekmann, D, Menges, S, Brenneis, C, Henson, F, Cowan, K.J, Musil, D, Thudium, C, Guehring, H, Michaelis, M, Kleinschmidt-Doerr, K. | Deposit date: | 2022-04-10 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | R399E, A Mutated Form of Growth and Differentiation Factor 5, for Disease Modification of Osteoarthritis. Arthritis Rheumatol, 75, 2023
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6HCX
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![BU of 6hcx by Molmil](/molmil-images/mine/6hcx) | Influenza Virus N9 Neuraminidase A complex with Zanamivir molecule (Tern). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | Deposit date: | 2018-08-16 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation) To Be Published
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3EU1
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![BU of 3eu1 by Molmil](/molmil-images/mine/3eu1) | Crystal Structure determination of goat hemoglobin (Capra hircus) at 3 angstrom resolution | Descriptor: | Hemoglobin subunit alpha-1/2, Hemoglobin subunit beta-A, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sathya Moorthy, P, Neelagandan, K, Balasubramanian, M, Ponnuswamy, M.N. | Deposit date: | 2008-10-09 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Purification, crystallization and preliminary X-ray diffraction studies on goat (Capra hircus) hemoglobin - a low oxygen affinity species Protein Pept.Lett., 16, 2009
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5D97
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![BU of 5d97 by Molmil](/molmil-images/mine/5d97) | Neutron crystal structure of H2O-solvent ribonuclease A | Descriptor: | ISOPROPYL ALCOHOL, Ribonuclease pancreatic | Authors: | Chatake, T, Fujiwara, S. | Deposit date: | 2015-08-18 | Release date: | 2016-04-06 | Last modified: | 2018-12-05 | Method: | NEUTRON DIFFRACTION (1.8 Å) | Cite: | A technique for determining the deuterium/hydrogen contrast map in neutron macromolecular crystallography Acta Crystallogr D Struct Biol, 72, 2016
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7ZUN
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![BU of 7zun by Molmil](/molmil-images/mine/7zun) | Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone compound | Descriptor: | (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol, Isoform 2 of Serine/threonine-protein kinase pim-1 | Authors: | Casale, E. | Deposit date: | 2022-05-12 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Stereoselective synthesis of 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one derivatives as PIM kinase inhibitors inspired from marine alkaloids. Chirality, 34, 2022
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6HDU
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3EBZ
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![BU of 3ebz by Molmil](/molmil-images/mine/3ebz) | High Resolution HIV-2 Protease Structure in Complex with Clinical Drug Darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ... | Authors: | Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2008-08-28 | Release date: | 2008-09-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease J.Mol.Biol., 384, 2008
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3ECG
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![BU of 3ecg by Molmil](/molmil-images/mine/3ecg) | High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-98065 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ... | Authors: | Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2008-08-29 | Release date: | 2008-09-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease J.Mol.Biol., 384, 2008
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6IN4
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![BU of 6in4 by Molmil](/molmil-images/mine/6in4) | Crystal structure of apo DAPK1 in the presence of 18-crown-6 | Descriptor: | Death-associated protein kinase 1, SULFATE ION | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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6UT0
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![BU of 6ut0 by Molmil](/molmil-images/mine/6ut0) | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Vigers, G.P, Smith, D.J. | Deposit date: | 2019-10-29 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
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5CTP
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![BU of 5ctp by Molmil](/molmil-images/mine/5ctp) | Crystal structure of CK2alpha with N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide, ... | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-24 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.033 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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6TEW
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![BU of 6tew by Molmil](/molmil-images/mine/6tew) | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 27 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha' | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | Deposit date: | 2019-11-12 | Release date: | 2020-07-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.082 Å) | Cite: | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2. J.Med.Chem., 63, 2020
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6IPY
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6T9U
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![BU of 6t9u by Molmil](/molmil-images/mine/6t9u) | Bovine Trypsine in complex with the synthetic inhibitor (S)-3'-(N-(1-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)-[1,1'-biphenyl]-3-carboximidamide (MI-490) | Descriptor: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ... | Authors: | Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T. | Deposit date: | 2019-10-28 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.067509 Å) | Cite: | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors Eur.J.Med.Chem., 2022
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7ZYO
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![BU of 7zyo by Molmil](/molmil-images/mine/7zyo) | Compound 9 Bound to CK2alpha | Descriptor: | 5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2022-05-25 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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6IS2
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3EOB
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8A66
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![BU of 8a66 by Molmil](/molmil-images/mine/8a66) | Crystal structure of MST2 in complex with XMU-MP-1 | Descriptor: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, SODIUM ION, Serine/threonine-protein kinase 3 36kDa subunit | Authors: | Nawrotek, A, Vuillard, L, Miallau, L, Weber, C. | Deposit date: | 2022-06-16 | Release date: | 2022-07-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879 To Be Published
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7ZYD
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![BU of 7zyd by Molmil](/molmil-images/mine/7zyd) | Structure of Compound 6 Bound to CK2alpha | Descriptor: | 5-bromanyl-6-chloranyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2022-05-24 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.404 Å) | Cite: | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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6I19
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![BU of 6i19 by Molmil](/molmil-images/mine/6i19) | Crystal structure of Chlamydomonas reinhardtii thioredoxin h1 | Descriptor: | Thioredoxin H-type | Authors: | Lemaire, S.D, Tedesco, D, Crozet, P, Michelet, L, Fermani, S, Zaffagnini, M, Henri, J. | Deposit date: | 2018-10-27 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.378 Å) | Cite: | Crystal Structure of Chloroplastic Thioredoxin f2 fromChlamydomonas reinhardtiiReveals Distinct Surface Properties. Antioxidants (Basel), 7, 2018
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3E8E
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![BU of 3e8e by Molmil](/molmil-images/mine/3e8e) | Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors | Descriptor: | 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | Deposit date: | 2008-08-19 | Release date: | 2008-11-18 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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