4QER
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![BU of 4qer by Molmil](/molmil-images/mine/4qer) | Crystal Structure of the Complex of Phospholipase A2 with Resveratrol at 1.20 A Resolution | Descriptor: | Phospholipase A2 VRV-PL-VIIIa, RESVERATROL, SULFATE ION | Authors: | Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-05-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structures and binding studies of the complexes of phospholipase A2 with five inhibitors Biochim.Biophys.Acta, 1854, 2015
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6FD8
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![BU of 6fd8 by Molmil](/molmil-images/mine/6fd8) | Gamma-s crystallin dimer | Descriptor: | Beta-crystallin S | Authors: | Mabbitt, P.D, Thorn, D.C, Jackson, C.J, Carver, J.A. | Deposit date: | 2017-12-22 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structure and Stability of the Disulfide-Linked gamma S-Crystallin Dimer Provide Insight into Oxidation Products Associated with Lens Cataract Formation. J. Mol. Biol., 431, 2019
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7EGO
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![BU of 7ego by Molmil](/molmil-images/mine/7ego) | X-ray structure of the human heart fatty acid-binding protein complexed with the fluorescent probe HA527 | Descriptor: | 3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid, Fatty acid-binding protein, heart, ... | Authors: | Takabayashi, M, Yokota, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Sugiyama, S. | Deposit date: | 2021-03-24 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | X-ray structure of the human heart fatty acid-binding protein complexed with the fluorescent probe HA527 To Be Published
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5X3Z
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![BU of 5x3z by Molmil](/molmil-images/mine/5x3z) | Solution structure of musashi1 RBD2 in complex with RNA | Descriptor: | RNA (5'-R(*GP*UP*AP*GP*U)-3'), RNA-binding protein Musashi homolog 1 | Authors: | Iwaoka, R, Nagata, T, Tsuda, K, Imai, T, Okano, H, Kobayashi, N, Katahira, M. | Deposit date: | 2017-02-09 | Release date: | 2017-12-13 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural Insight into the Recognition of r(UAG) by Musashi-1 RBD2, and Construction of a Model of Musashi-1 RBD1-2 Bound to the Minimum Target RNA Molecules, 22, 2017
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4QKG
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![BU of 4qkg by Molmil](/molmil-images/mine/4qkg) | Monomeric form of human LLT1, a ligand for NKR-P1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D, SULFATE ION | Authors: | Skalova, T, Blaha, J, Harlos, K, Duskova, J, Koval, T, Stransky, J, Hasek, J, Vanek, O, Dohnalek, J. | Deposit date: | 2014-06-06 | Release date: | 2015-03-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Four crystal structures of human LLT1, a ligand of human NKR-P1, in varied glycosylation and oligomerization states Acta Crystallogr.,Sect.D, 71, 2015
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4QJ2
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4QMN
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![BU of 4qmn by Molmil](/molmil-images/mine/4qmn) | MST3 in complex with BOSUTINIB | Descriptor: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Serine/threonine-protein kinase 24 | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2014-06-16 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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4QJA
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5XR4
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![BU of 5xr4 by Molmil](/molmil-images/mine/5xr4) | Crystal structure of RabA1a in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein RABA1a, ... | Authors: | Yun, J.S, Chang, J.H. | Deposit date: | 2017-06-07 | Release date: | 2018-06-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure and subcellular localization of RabA1a from Arabidopsis thaliana To Be Published
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6KD1
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5XA3
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![BU of 5xa3 by Molmil](/molmil-images/mine/5xa3) | Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine | Descriptor: | Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ... | Authors: | Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2017-03-10 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives. Angew. Chem. Int. Ed. Engl., 56, 2017
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7EHX
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4PTG
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![BU of 4ptg by Molmil](/molmil-images/mine/4ptg) | Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b | Descriptor: | 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | Deposit date: | 2014-03-10 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.361 Å) | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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5XVA
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![BU of 5xva by Molmil](/molmil-images/mine/5xva) | Crystal Structure of PAK4 in complex with inhibitor CZH216 | Descriptor: | ETHANOL, Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone | Authors: | Zhao, F, Li, H. | Deposit date: | 2017-06-27 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.847 Å) | Cite: | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors. J. Med. Chem., 61, 2018
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5XVG
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![BU of 5xvg by Molmil](/molmil-images/mine/5xvg) | Crystal Structure of PAK4 in complex with inhibitor CZH226 | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ... | Authors: | Zhao, F, Li, H. | Deposit date: | 2017-06-27 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors. J. Med. Chem., 61, 2018
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5XWA
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![BU of 5xwa by Molmil](/molmil-images/mine/5xwa) | Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 10 | Descriptor: | Acetylated-Pro-Arg-Tyr Inhibitor, CALCIUM ION, Trypsin | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-29 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
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7EJV
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![BU of 7ejv by Molmil](/molmil-images/mine/7ejv) | The co-crystal structure of DYRK2 with YK-2-69 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone | Authors: | Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P. | Deposit date: | 2021-04-02 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer. Nat Commun, 13, 2022
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5XX2
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![BU of 5xx2 by Molmil](/molmil-images/mine/5xx2) | A BPTI-[5,55] variant with C14GA38L mutations | Descriptor: | Pancreatic trypsin inhibitor, SULFATE ION | Authors: | Islam, M.M. | Deposit date: | 2017-07-01 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Hydrophobic surface residues can stabilize a protein through improved water-protein interactions. Febs J., 2019
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4PQC
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5XX4
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![BU of 5xx4 by Molmil](/molmil-images/mine/5xx4) | A BPTI-[5,55] variant with C14GA38K mutations | Descriptor: | Pancreatic trypsin inhibitor, SULFATE ION | Authors: | Islam, M.M. | Deposit date: | 2017-07-01 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Hydrophobic surface residues can stabilize a protein through improved water-protein interactions. Febs J., 2019
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6BLE
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![BU of 6ble by Molmil](/molmil-images/mine/6ble) | Crystal Structure of the Human CAMKK2B in complex with CP673451 | Descriptor: | 1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine, Calcium/calmodulin-dependent protein kinase kinase 2, GLYCEROL | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-11-10 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Human CAMKK2B in complex with CP673451 To Be Published
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4PHV
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![BU of 4phv by Molmil](/molmil-images/mine/4phv) | X-RAY CRYSTAL STRUCTURE OF THE HIV PROTEASE COMPLEX WITH L-700,417, AN INHIBITOR WITH PSEUDO C2 SYMMETRY | Descriptor: | HIV-1 PROTEASE, N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE | Authors: | Bone, R. | Deposit date: | 1991-10-04 | Release date: | 1993-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-Ray Crystal Structure of the HIV Protease Complex with L-700,417, an Inhibitor with Pseudo C2 Symmetry J.Am.Chem.Soc., 113, 1991
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4PTI
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![BU of 4pti by Molmil](/molmil-images/mine/4pti) | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | Descriptor: | TRYPSIN INHIBITOR | Authors: | Huber, R, Kukla, D, Ruehlmann, A, Epp, O, Formanek, H, Deisenhofer, J, Steigemann, W. | Deposit date: | 1982-09-27 | Release date: | 1983-01-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983
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5X8I
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![BU of 5x8i by Molmil](/molmil-images/mine/5x8i) | Crystal structure of human CLK1 in complex with compound 25 | Descriptor: | 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole, Dual specificity protein kinase CLK1 | Authors: | Sun, Q.Z, Lin, G.F, Li, L.L, Jin, X.T, Huang, L.Y, Zhang, G, Wei, Y.Q, Lu, G.W, Yang, S.Y. | Deposit date: | 2017-03-02 | Release date: | 2017-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Discovery of Potent and Selective Inhibitors of Cdc2-Like Kinase 1 (CLK1) as a New Class of Autophagy Inducers J. Med. Chem., 60, 2017
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6KFW
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