6K9M
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![BU of 6k9m by Molmil](/molmil-images/mine/6k9m) | Human LXR-beta in complex with an agonist | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | Authors: | Zhang, Z, Zhou, H. | Deposit date: | 2019-06-16 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of novel liver X receptor inverse agonists as lipogenesis inhibitors. Eur.J.Med.Chem., 206, 2020
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5GVP
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![BU of 5gvp by Molmil](/molmil-images/mine/5gvp) | Plasmodium vivax SHMT bound with PLP-glycine and GS654 | Descriptor: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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2PKC
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![BU of 2pkc by Molmil](/molmil-images/mine/2pkc) | CRYSTAL STRUCTURE OF CALCIUM-FREE PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION | Descriptor: | PROTEINASE K, SODIUM ION | Authors: | Mueller, A, Hinrichs, W, Wolf, W.M, Saenger, W. | Deposit date: | 1993-06-04 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of calcium-free proteinase K at 1.5-A resolution. J.Biol.Chem., 269, 1994
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8UOS
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8UPB
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![BU of 8upb by Molmil](/molmil-images/mine/8upb) | |
4KT1
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![BU of 4kt1 by Molmil](/molmil-images/mine/4kt1) | Complex of R-spondin 1 with LGR4 extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat-containing G-protein coupled receptor 4, ... | Authors: | Wang, X.Q, Wang, D.L. | Deposit date: | 2013-05-19 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Structural basis for R-spondin recognition by LGR4/5/6 receptors Genes Dev., 27, 2013
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5IKK
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![BU of 5ikk by Molmil](/molmil-images/mine/5ikk) | Structure of the histone deacetylase Clr3 | Descriptor: | 1,2-ETHANEDIOL, Histone deacetylase clr3, MAGNESIUM ION, ... | Authors: | Brugger, C, Schalch, T. | Deposit date: | 2016-03-03 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | SHREC Silences Heterochromatin via Distinct Remodeling and Deacetylation Modules. Mol.Cell, 62, 2016
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5IQY
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![BU of 5iqy by Molmil](/molmil-images/mine/5iqy) | Structure of apo-Dehydroascorbate Reductase from Pennisetum Glaucum phased by Iodide-SAD method | Descriptor: | Dehydroascorbate reductase, IODIDE ION | Authors: | Das, B.K, Kumar, A, Manidola, P, Arockiasamy, A. | Deposit date: | 2016-03-11 | Release date: | 2016-05-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase Biochem.Biophys.Res.Commun., 473, 2016
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5SXL
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6KO0
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![BU of 6ko0 by Molmil](/molmil-images/mine/6ko0) | The crystal structue of PDE10A complexed with 1i | Descriptor: | 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | Deposit date: | 2019-08-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.600029 Å) | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
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6KO1
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![BU of 6ko1 by Molmil](/molmil-images/mine/6ko1) | The crystal structue of PDE10A complexed with 2d | Descriptor: | 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | Deposit date: | 2019-08-07 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. Acs Chem Neurosci, 11, 2020
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3AFQ
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![BU of 3afq by Molmil](/molmil-images/mine/3afq) | Crystal structure of the single-stranded DNA binding protein from Mycobacterium leprae (Form II) | Descriptor: | Single-stranded DNA-binding protein | Authors: | Kaushal, P.S, Singh, P, Sharma, A, Muniyappa, K, Vijayan, M. | Deposit date: | 2010-03-10 | Release date: | 2010-10-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray and molecular-dynamics studies on Mycobacterium leprae single-stranded DNA-binding protein and comparison with other eubacterial SSB structures Acta Crystallogr.,Sect.D, 66, 2010
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2OKT
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![BU of 2okt by Molmil](/molmil-images/mine/2okt) | Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, ligand-free form | Descriptor: | O-succinylbenzoic acid synthetase | Authors: | Patskovsky, Y, Toro, R, Malashkevich, V, Sauder, J.M, Ozyurt, S, Smith, D, Dickey, M, Maletic, M, Powell, A, Gheyi, T, Wasserman, S.R, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-01-17 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family. Proc.Natl.Acad.Sci.USA, 111, 2014
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3AFP
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![BU of 3afp by Molmil](/molmil-images/mine/3afp) | Crystal structure of the single-stranded DNA binding protein from Mycobacterium leprae (Form I) | Descriptor: | CADMIUM ION, GLYCEROL, Single-stranded DNA-binding protein | Authors: | Kaushal, P.S, Singh, P, Sharma, A, Muniyappa, K, Vijayan, M. | Deposit date: | 2010-03-10 | Release date: | 2010-10-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-ray and molecular-dynamics studies on Mycobacterium leprae single-stranded DNA-binding protein and comparison with other eubacterial SSB structures Acta Crystallogr.,Sect.D, 66, 2010
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3JXC
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3JXB
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2L3N
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![BU of 2l3n by Molmil](/molmil-images/mine/2l3n) | Solution structure of Rap1-Taz1 fusion protein | Descriptor: | DNA-binding protein rap1,Telomere length regulator taz1 | Authors: | Zhou, Z.R, Wang, F, Chen, Y, Lei, M, Hu, H. | Deposit date: | 2010-09-19 | Release date: | 2011-01-12 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms. Nat.Struct.Mol.Biol., 18, 2011
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2OLA
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![BU of 2ola by Molmil](/molmil-images/mine/2ola) | Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, cubic crystal form | Descriptor: | O-succinylbenzoic acid synthetase | Authors: | Patskovsky, Y, Sauder, J.M, Ozyurt, S, Wasserman, S.R, Smith, D, Dickey, M, Maletic, M, Reyes, C, Gheyi, T, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-01-18 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family. Proc.Natl.Acad.Sci.USA, 111, 2014
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1FV3
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![BU of 1fv3 by Molmil](/molmil-images/mine/1fv3) | THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH AN ANALOGUE OF ITS GANGLIOSIDE RECEPTOR GT1B | Descriptor: | ETHYL-TRIMETHYL-SILANE, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-beta-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, PHOSPHATE ION, ... | Authors: | Fotinou, C, Emsley, P, Black, I, Ando, H, Ishida, H, Kiso, M, Sinha, K.A, Fairweather, N.F, Isaacs, N.W. | Deposit date: | 2000-09-18 | Release date: | 2001-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of tetanus toxin Hc fragment complexed with a synthetic GT1b analogue suggests cross-linking between ganglioside receptors and the toxin. J.Biol.Chem., 276, 2001
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3SQR
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![BU of 3sqr by Molmil](/molmil-images/mine/3sqr) | Crystal structure of laccase from Botrytis aclada at 1.67 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, SULFATE ION, ... | Authors: | Osipov, E.M, Polyakov, K.M, Tikhonova, T.V, Dorovatovsky, P.V, Ludwig, R, Kittl, R, Shleev, S.V, Popov, V.O. | Deposit date: | 2011-07-06 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Effect of the L499M mutation of the ascomycetous Botrytis aclada laccase on redox potential and catalytic properties. Acta Crystallogr.,Sect.D, 70, 2014
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6JK2
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![BU of 6jk2 by Molmil](/molmil-images/mine/6jk2) | Crystal structure of a mini fungal lectin, PhoSL | Descriptor: | Lectin, SULFATE ION | Authors: | Lou, Y.C, Chou, C.C, Yeh, H.H, Chien, C.Y, Sushant, S, Chen, C, Hsu, C.H. | Deposit date: | 2019-02-27 | Release date: | 2020-03-04 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Structural insights into the role of N-terminal integrity in PhoSL for core-fucosylated N-glycan recognition. Int.J.Biol.Macromol., 255, 2023
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6J36
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![BU of 6j36 by Molmil](/molmil-images/mine/6j36) | crystal structure of Mycoplasma hyopneumoniae Enolase | Descriptor: | Enolase, GLYCEROL, SULFATE ION | Authors: | Chen, R, Zhang, S, Gan, R, Xie, X, Feng, Z, Wang, W, Ran, T, Zhang, W, Xiang, Q, Shao, G. | Deposit date: | 2019-01-04 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Featured Species-Specific Loops Are Found in the Crystal Structure ofMhpEno, a Cell Surface Adhesin FromMycoplasma hyopneumoniae. Front Cell Infect Microbiol, 9, 2019
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4BMM
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![BU of 4bmm by Molmil](/molmil-images/mine/4bmm) | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide | Descriptor: | 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Choi, J.Y, Calvet, C.M, Gunatilleke, S.S, Roush, W.R, McKerrow, J.H, Podust, L.M. | Deposit date: | 2013-05-09 | Release date: | 2014-06-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency. J.Med.Chem., 57, 2014
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5YC9
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6JK3
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![BU of 6jk3 by Molmil](/molmil-images/mine/6jk3) | Crystal structure of a mini fungal lectin, PhoSL in complex with core-fucosylated chitobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lectin | Authors: | Lou, Y.C, Chou, C.C, Yeh, H.H, Chien, C.Y, Sushant, S, Chen, C, Hsu, C.H. | Deposit date: | 2019-02-27 | Release date: | 2020-03-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structural insights into the role of N-terminal integrity in PhoSL for core-fucosylated N-glycan recognition. Int.J.Biol.Macromol., 255, 2023
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