2HHN
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![BU of 2hhn by Molmil](/molmil-images/mine/2hhn) | Cathepsin S in complex with non covalent arylaminoethyl amide. | Descriptor: | Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION | Authors: | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | Deposit date: | 2006-06-28 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers Bioorg.Med.Chem.Lett., 16, 2006
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5LJL
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![BU of 5ljl by Molmil](/molmil-images/mine/5ljl) | Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target | Descriptor: | Flavodoxin, PHOSPHATE ION | Authors: | Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J. | Deposit date: | 2016-07-18 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target. Plos One, 11, 2016
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7LLL
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![BU of 7lll by Molmil](/molmil-images/mine/7lll) | Exendin-4-bound Glucagon-Like Peptide-1 (GLP-1) Receptor in complex with Gs protein | Descriptor: | Exendin-4, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Wootten, D, Sexton, P.M, Belousoff, M.J, Danev, R, Zhang, X, Khoshouei, M, Venugopal, H. | Deposit date: | 2021-02-04 | Release date: | 2022-01-12 | Last modified: | 2022-01-26 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Dynamics of GLP-1R peptide agonist engagement are correlated with kinetics of G protein activation. Nat Commun, 13, 2022
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4RIB
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![BU of 4rib by Molmil](/molmil-images/mine/4rib) | FAN1 Nuclease bound to 5' phosphorylated p(dT) single flap DNA | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*GP*GP*AP*GP*TP*CP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*TP*GP*AP*GP*GP*CP*GP*TP*G)-3'), ... | Authors: | Pavletich, N.P, Wang, R. | Deposit date: | 2014-10-05 | Release date: | 2014-12-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1. Science, 346, 2014
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5LM4
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![BU of 5lm4 by Molmil](/molmil-images/mine/5lm4) | Structure of the thermostalilized EAAT1 cryst-II mutant in complex with L-ASP and the allosteric inhibitor UCPH101 | Descriptor: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, ASPARTIC ACID, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ... | Authors: | Canul-Tec, J, Assal, R, Legrand, P, Reyes, N. | Deposit date: | 2016-07-29 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure and allosteric inhibition of excitatory amino acid transporter 1. Nature, 544, 2017
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4RI8
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![BU of 4ri8 by Molmil](/molmil-images/mine/4ri8) | |
4RIU
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![BU of 4riu by Molmil](/molmil-images/mine/4riu) | |
5DE2
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![BU of 5de2 by Molmil](/molmil-images/mine/5de2) | |
4RIV
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![BU of 4riv by Molmil](/molmil-images/mine/4riv) | A Carbonic Anhydrase IX Mimic in Complex with Saccharin | Descriptor: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Mahon, B.P, McKenna, R. | Deposit date: | 2014-10-07 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | Saccharin: A lead compound for structure-based drug design of carbonic anhydrase IX inhibitors. Bioorg.Med.Chem., 23, 2015
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5LOX
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5CXZ
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![BU of 5cxz by Molmil](/molmil-images/mine/5cxz) | SYK catalytic domain complexed with naphthyridine inhibitor | Descriptor: | CHLORIDE ION, GLYCEROL, N-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine, ... | Authors: | Thoma, G, Veenstra, S, Strang, R, Blanz, J, Vangrevelinghe, E, Berghausen, J, Lee, C.C, Zerwes, H.-G. | Deposit date: | 2015-07-29 | Release date: | 2015-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Orally bioavailable Syk inhibitors with activity in a rat PK/PD model. Bioorg.Med.Chem.Lett., 25, 2015
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2NVA
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![BU of 2nva by Molmil](/molmil-images/mine/2nva) | The X-ray crystal structure of the Paramecium bursaria Chlorella virus arginine decarboxylase bound to agmatine | Descriptor: | (4-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, arginine decarboxylase, A207R protein | Authors: | Shah, R.H, Akella, R, Goldsmith, E, Phillips, M.A. | Deposit date: | 2006-11-11 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray Structure of Paramecium bursaria Chlorella Virus Arginine Decarboxylase: Insight into the Structural Basis for Substrate Specificity. Biochemistry, 46, 2007
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4RIT
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![BU of 4rit by Molmil](/molmil-images/mine/4rit) | The yellow crystal structure of pyridoxal-dependent decarboxylase from sphaerobacter thermophilus dsm 20745 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-10-07 | Release date: | 2014-10-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The yellow crystal structure of pyridoxal-dependent decarboxylase from sphaerobacter thermophilus dsm 20745 To be Published
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4RJ9
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![BU of 4rj9 by Molmil](/molmil-images/mine/4rj9) | Structure of a plant specific C2 domain protein, OsGAP1 from rice | Descriptor: | C2 domain-containing protein-like, POTASSIUM ION | Authors: | Miao, R, Fong, Y.H, Wong, K.B, Lam, H.M. | Deposit date: | 2014-10-08 | Release date: | 2015-08-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Site-directed Mutagenesis Shows the Significance of Interactions with Phospholipids and the G-protein OsYchF1 for the Physiological Functions of the Rice GTPase-activating Protein 1 (OsGAP1). J.Biol.Chem., 290, 2015
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3QRT
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![BU of 3qrt by Molmil](/molmil-images/mine/3qrt) | CDK2 in complex with inhibitor NSK-MC2-55 | Descriptor: | (5R)-5-(2-methylbutan-2-yl)-N-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-18 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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4RJ0
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4RIZ
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![BU of 4riz by Molmil](/molmil-images/mine/4riz) | |
5LID
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![BU of 5lid by Molmil](/molmil-images/mine/5lid) | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with bromopromazine | Descriptor: | Cys-loop ligand-gated ion channel, bromopromazine | Authors: | Nys, M, Wijckmans, E, Farinha, A, Brams, M, Spurny, R, Ulens, C. | Deposit date: | 2016-07-14 | Release date: | 2016-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Allosteric binding site in a Cys-loop receptor ligand-binding domain unveiled in the crystal structure of ELIC in complex with chlorpromazine. Proc.Natl.Acad.Sci.USA, 113, 2016
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4RQ0
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5DGE
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![BU of 5dge by Molmil](/molmil-images/mine/5dge) | Coping with proline stalling: structural basis of hypusine-induced protein synthesis by the eukaryotic ribosome | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Melnikov, S, Mailliot, J, Shin, B.-S, Rigger, L, Yusupova, G, Micura, R, Dever, T.E, Yusupov, M. | Deposit date: | 2015-08-27 | Release date: | 2017-01-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Coping with proline stalling: structural basis of hypusine-induced protein synthesis by the eukaryotic ribosome To Be Published
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3QQH
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![BU of 3qqh by Molmil](/molmil-images/mine/3qqh) | CDK2 in complex with inhibitor L2-2 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol, Cyclin-dependent kinase 2, ... | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-15 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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5LIG
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![BU of 5lig by Molmil](/molmil-images/mine/5lig) | G-Quadruplex formed at the 5'-end of NHEIII_1 Element in human c-MYC promoter bound to triangulenium based fluorescence probe DAOTA-M2 | Descriptor: | 8,12-bis(2-morpholinoethyl)-8H-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate, DNA (5'-D(*TP*AP*GP*GP*GP*AP*GP*GP*GP*TP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3') | Authors: | Kotar, A, Wang, B, Shivalingam, A, Gonzalez-Garcia, J, Vilar, R, Plavec, J. | Deposit date: | 2016-07-14 | Release date: | 2016-09-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR Structure of a Triangulenium-Based Long-Lived Fluorescence Probe Bound to a G-Quadruplex. Angew.Chem.Int.Ed.Engl., 55, 2016
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4RM7
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![BU of 4rm7 by Molmil](/molmil-images/mine/4rm7) | |
5MZ7
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![BU of 5mz7 by Molmil](/molmil-images/mine/5mz7) | Crystal Structure of the third PDZ domain from the synaptic protein PSD-95 with incorporated Azidohomoalanine | Descriptor: | Disks large homolog 4 | Authors: | Kudlinzki, D, Lehner, F, Witt, K, Linhard, V.L, Silvers, R, Schwalbe, H. | Deposit date: | 2017-01-31 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Impact of Azidohomoalanine Incorporation on Protein Structure and Ligand Binding. Chembiochem, 18, 2017
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3QQL
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![BU of 3qql by Molmil](/molmil-images/mine/3qql) | CDK2 in complex with inhibitor L3 | Descriptor: | (5R)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-02-15 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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