4MER
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![BU of 4mer by Molmil](/molmil-images/mine/4mer) | Crystal structure of the novel protein and virulence factor sHIP (Q99XU0) from Streptococcus pyogenes | Descriptor: | streptococcal Histidine-rich glycoprotein Interacting Protein | Authors: | Wisniewska, M, Happonen, L, Frick, M.-I, Bjorck, L, Streicher, W, Malmstrom, J, Wikstrom, M. | Deposit date: | 2013-08-27 | Release date: | 2014-05-21 | Last modified: | 2014-07-16 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Functional and Structural Properties of a Novel Protein and Virulence Factor (Protein sHIP) in Streptococcus pyogenes. J.Biol.Chem., 289, 2014
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2RUQ
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![BU of 2ruq by Molmil](/molmil-images/mine/2ruq) | solution structure of human Pin1 PPIase mutant C113A | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Jing, W, Tochio, N, Tate, S. | Deposit date: | 2015-01-20 | Release date: | 2016-01-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Allosteric Breakage of the Hydrogen Bond within the Dual-Histidine Motif in the Active Site of Human Pin1 PPIase Biochemistry, 54, 2015
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2RUR
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![BU of 2rur by Molmil](/molmil-images/mine/2rur) | Solution structure of Human Pin1 PPIase C113S mutant | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Jing, W, Tochio, N, Tate, S. | Deposit date: | 2015-01-20 | Release date: | 2016-01-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Allosteric Breakage of the Hydrogen Bond within the Dual-Histidine Motif in the Active Site of Human Pin1 PPIase Biochemistry, 54, 2015
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7DKL
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![BU of 7dkl by Molmil](/molmil-images/mine/7dkl) | |
6ILD
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![BU of 6ild by Molmil](/molmil-images/mine/6ild) | Crystal Structure of Human LysRS: P38/AIMP2 Complex II | Descriptor: | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine, Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, GLYCEROL, ... | Authors: | Hei, Z, Liu, Z, Wang, J, Fang, P. | Deposit date: | 2018-10-17 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.882 Å) | Cite: | Retractile lysyl-tRNA synthetase-AIMP2 assembly in the human multi-aminoacyl-tRNA synthetase complex. J. Biol. Chem., 294, 2019
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6IPA
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![BU of 6ipa by Molmil](/molmil-images/mine/6ipa) | |
6JRE
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![BU of 6jre by Molmil](/molmil-images/mine/6jre) | Structure of N-terminal domain of Plasmodium vivax p43 (PfNTD) solved by Co-SAD phasing | Descriptor: | Aminoacyl-tRNA synthetase-interacting multifunctional protein p43, COBALT (II) ION | Authors: | Manickam, Y, Harlos, K, Sharma, M, Gupta, S, Sharma, A. | Deposit date: | 2019-04-03 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structures of the two domains that constitute the Plasmodium vivax p43 protein. Acta Crystallogr D Struct Biol, 76, 2020
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2KQS
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2GPO
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![BU of 2gpo by Molmil](/molmil-images/mine/2gpo) | Estrogen Related Receptor-gamma ligand binding domain complexed with a synthetic peptide from RIP140 | Descriptor: | Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1 | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | Deposit date: | 2006-04-18 | Release date: | 2006-09-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation. J.Biol.Chem., 281, 2006
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4EYV
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![BU of 4eyv by Molmil](/molmil-images/mine/4eyv) | Crystal structure of Cyclophilin A like protein from Piriformospora indica | Descriptor: | PHOSPHATE ION, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase, ... | Authors: | Bhatt, H, Pal, R.K, Tuteja, N, Bhavesh, N.S. | Deposit date: | 2012-05-02 | Release date: | 2013-05-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure of RNA-interacting Cyclophilin A-like protein from Piriformospora indica that provides salinity-stress tolerance in plants Sci Rep, 3, 2013
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2HV8
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![BU of 2hv8 by Molmil](/molmil-images/mine/2hv8) | Crystal structure of GTP-bound Rab11 in complex with FIP3 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eathiraj, S, Mishra, A, Prekeris, R, Lambright, D.G. | Deposit date: | 2006-07-27 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural Basis for Rab11-mediated Recruitment of FIP3 to Recycling Endosomes. J.Mol.Biol., 364, 2006
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2GPP
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![BU of 2gpp by Molmil](/molmil-images/mine/2gpp) | Estrogen Related Receptor-gamma ligand binding domain complexed with a RIP140 peptide and synthetic ligand GSK4716 | Descriptor: | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE, Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1 | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | Deposit date: | 2006-04-18 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation. J.Biol.Chem., 281, 2006
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4ZN9
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![BU of 4zn9 by Molmil](/molmil-images/mine/4zn9) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) | Descriptor: | Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-04 | Release date: | 2015-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.215 Å) | Cite: | Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands. Chemmedchem, 7, 2012
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3KWF
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![BU of 3kwf by Molmil](/molmil-images/mine/3kwf) | human DPP-IV with carmegliptin (S)-1-((2S,3S,11bS)-2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one | Descriptor: | (4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | Authors: | Hennig, M, Stihle, M, Thoma, R. | Deposit date: | 2009-12-01 | Release date: | 2010-01-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of carmegliptin: A potent and long-acting dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. Bioorg.Med.Chem.Lett., 20, 2010
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6BZ2
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![BU of 6bz2 by Molmil](/molmil-images/mine/6bz2) | Crystal structure of wild-type HIV-1 protease with a novel HIV-1 inhibitor GRL-14213A of 6-5-5-ring fused crown-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2017-12-22 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Design of Highly Potent, Dual-Acting and Central-Nervous-System-Penetrating HIV-1 Protease Inhibitors with Excellent Potency against Multidrug-Resistant HIV-1 Variants. ChemMedChem, 13, 2018
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3GQV
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![BU of 3gqv by Molmil](/molmil-images/mine/3gqv) | Lovastatin polyketide enoyl reductase (LovC) mutant K54S with bound NADP | Descriptor: | Enoyl reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ames, B.D, Smith, P.T, Ma, S.M, Kaake, R, Wong, E.W, Wong, S.K, Xie, X, Li, J.W, Vederas, J.C, Tang, Y, Tsai, S.-C. | Deposit date: | 2009-03-24 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | biosynthesis of Lovastatin: Crystal structure and biochemical
studies of LOVC, A trans-acting polyketide enoyl reductase To be Published
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8CBQ
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![BU of 8cbq by Molmil](/molmil-images/mine/8cbq) | structure of LEDGF/p75 PWWP domain bound to the H3K36 trimethylated dinucleosome | Descriptor: | Histone H2A, Histone H2B 1.1, Histone H3, ... | Authors: | Koutna, E, Kouba, T, Novacek, J, Veverka, V. | Deposit date: | 2023-01-25 | Release date: | 2023-09-06 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Multivalency of nucleosome recognition by LEDGF. Nucleic Acids Res., 51, 2023
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8CBN
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![BU of 8cbn by Molmil](/molmil-images/mine/8cbn) | structure of LEDGF/p75 PWWP domain bound to the H3K36 trimethylated dinucleosome | Descriptor: | Histone H2A, Histone H2B 1.1, Histone H3, ... | Authors: | Koutna, E, Kouba, T, Novacek, J, Veverka, V. | Deposit date: | 2023-01-25 | Release date: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Multivalency of nucleosome recognition by LEDGF. Nucleic Acids Res., 51, 2023
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2NUD
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![BU of 2nud by Molmil](/molmil-images/mine/2nud) | The structure of the type III effector AvrB complexed with a high-affinity RIN4 peptide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Avirulence B protein, RPM1-interacting protein 4, ... | Authors: | Singer, A.U, Desveaux, D, Wu, A.J, McNulty, B, Sondek, J, Dangl, J.L. | Deposit date: | 2006-11-09 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Type III Effector Activation via Nucleotide Binding, Phosphorylation, and Host Target Interaction. Plos Pathog., 3, 2007
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1HW8
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![BU of 1hw8 by Molmil](/molmil-images/mine/1hw8) | COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH COMPACTIN (ALSO KNOWN AS MEVASTATIN) | Descriptor: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acid, ADENOSINE-5'-DIPHOSPHATE, HMG-COA REDUCTASE | Authors: | Istvan, E.S, Deisenhofer, J. | Deposit date: | 2001-01-09 | Release date: | 2001-05-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural mechanism for statin inhibition of HMG-CoA reductase. Science, 292, 2001
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2MOG
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![BU of 2mog by Molmil](/molmil-images/mine/2mog) | Solution structure of the terminal Ig-like domain from Leptospira interrogans LigB | Descriptor: | Bacterial Ig-like domain, group 2 | Authors: | Ptak, C.P, Hsieh, C, Lin, Y, Maltsev, A.S, Raman, R, Sharma, Y, Oswald, R.E, Chang, Y. | Deposit date: | 2014-04-25 | Release date: | 2014-08-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR Solution Structure of the Terminal Immunoglobulin-like Domain from the Leptospira Host-Interacting Outer Membrane Protein, LigB. Biochemistry, 53, 2014
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2EHB
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1QTI
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![BU of 1qti by Molmil](/molmil-images/mine/1qti) | Acetylcholinesterase (E.C.3.1.1.7) | Descriptor: | (-)-GALANTHAMINE, ACETYLCHOLINESTERASE | Authors: | Bartolucci, C, Perola, E, Pilger, C, Fels, G, Lamba, D. | Deposit date: | 1999-06-28 | Release date: | 1999-12-29 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional structure of a complex of galanthamine (Nivalin) with acetylcholinesterase from Torpedo californica: implications for the design of new anti-Alzheimer drugs Proteins, 42, 2001
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3F9K
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![BU of 3f9k by Molmil](/molmil-images/mine/3f9k) | Two domain fragment of HIV-2 integrase in complex with LEDGF IBD | Descriptor: | Integrase, MAGNESIUM ION, PC4 and SFRS1-interacting protein, ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2008-11-14 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A novel co-crystal structure affords the design of gain-of-function lentiviral integrase mutants in the presence of modified PSIP1/LEDGF/p75 Plos Pathog., 5, 2009
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2JX0
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![BU of 2jx0 by Molmil](/molmil-images/mine/2jx0) | The paxillin-binding domain (PBD) of G Protein Coupled Receptor (GPCR)-kinase (GRK) interacting protein 1 (GIT1) | Descriptor: | ARF GTPase-activating protein GIT1 | Authors: | Zhang, Z, Guibao, C.D, Simmerman, J.A, Zheng, J. | Deposit date: | 2007-11-01 | Release date: | 2008-04-29 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | GIT1 paxillin-binding domain is a four-helix bundle, and it binds to both paxillin LD2 and LD4 motifs. J.Biol.Chem., 283, 2008
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