3LN2
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4YFE
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![BU of 4yfe by Molmil](/molmil-images/mine/4yfe) | Crystal structure of PTP delta Fn1-Fn2 | Descriptor: | Receptor-type tyrosine-protein phosphatase delta | Authors: | Yamagata, A, Fukai, S. | Deposit date: | 2015-02-25 | Release date: | 2015-05-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.972 Å) | Cite: | Mechanisms of splicing-dependent trans-synaptic adhesion by PTP delta-IL1RAPL1/IL-1RAcP for synaptic differentiation. Nat Commun, 6, 2015
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3LNE
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4YGW
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![BU of 4ygw by Molmil](/molmil-images/mine/4ygw) | RNase S in complex with stabilized S peptide | Descriptor: | 1-hydroxypropan-2-one, Ribonuclease A C2, S-peptide: ACE-LYS-GLU-THR-ALA-ALA-HCS-LYS-PHE-GLU-HCS-GLN-HIS-MET-ASP-SER, ... | Authors: | Assem, N, Ferreira, D, Wolan, D.W, Dawson, P.E. | Deposit date: | 2015-02-26 | Release date: | 2015-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Acetone-Linked Peptides: A Convergent Approach for Peptide Macrocyclization and Labeling. Angew.Chem.Int.Ed.Engl., 54, 2015
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3L5E
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![BU of 3l5e by Molmil](/molmil-images/mine/3l5e) | Structure of BACE Bound to SCH736062 | Descriptor: | (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one, Beta-secretase 1, D(-)-TARTARIC ACID | Authors: | Strickland, C, Zhu, Z. | Deposit date: | 2009-12-21 | Release date: | 2010-02-16 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010
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3LHM
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3L61
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![BU of 3l61 by Molmil](/molmil-images/mine/3l61) | Crystal structure of substrate-free P450cam at 200 mM [K+] | Descriptor: | Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B. | Deposit date: | 2009-12-22 | Release date: | 2010-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | P450cam visits an open conformation in the absence of substrate. Biochemistry, 49, 2010
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4YBP
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4YKO
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6Q20
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4YDF
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![BU of 4ydf by Molmil](/molmil-images/mine/4ydf) | Crystal structure of compound 9 in complex with HTLV-1 Protease | Descriptor: | HTLV-1 Protease, N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide, SULFATE ION | Authors: | Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E. | Deposit date: | 2015-02-22 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors. J.Med.Chem., 58, 2015
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4YLC
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6QAG
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![BU of 6qag by Molmil](/molmil-images/mine/6qag) | ERK2 mini-fragment binding | Descriptor: | 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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4YEH
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![BU of 4yeh by Molmil](/molmil-images/mine/4yeh) | Crystal structure of Mg2+ ion containing hemopexin fold from Kabuli chana (chickpea white) at 2.45A resolution reveals a structural basis of metal ion transport | Descriptor: | Lectin, MAGNESIUM ION | Authors: | Kumar, S, Singh, A, Yamini, S, Bhushan, A, Dey, S, Sharma, S, Singh, T.P. | Deposit date: | 2015-02-24 | Release date: | 2015-03-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Mg(2+) Containing Hemopexin-Fold Protein from Kabuli Chana (Chickpea-White, CW-25) at 2.45 angstrom Resolution Reveals Its Metal Ion Transport Property Protein J., 34, 2015
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4YEO
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![BU of 4yeo by Molmil](/molmil-images/mine/4yeo) | Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cisplatin, ... | Authors: | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | Deposit date: | 2015-02-24 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015
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6Q3B
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![BU of 6q3b by Molmil](/molmil-images/mine/6q3b) | CDK2 in complex with FragLite2 | Descriptor: | 4-IODOPYRAZOLE, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-04 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6QAT
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![BU of 6qat by Molmil](/molmil-images/mine/6qat) | Crystal structure of ULK2 in complexed with hesperadin | Descriptor: | N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide, Serine/threonine-protein kinase ULK2 | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-19 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2). Biochem.J., 476, 2019
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6Q49
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![BU of 6q49 by Molmil](/molmil-images/mine/6q49) | CDK2 in complex with FragLite6 | Descriptor: | 4-bromanyl-1~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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3LIX
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![BU of 3lix by Molmil](/molmil-images/mine/3lix) | crystal structure of htlv protease complexed with the inhibitor KNI-10729 | Descriptor: | N-{(1S,2S)-1-benzyl-3-[(4R)-5,5-dimethyl-4-{[(1R)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-N~2~-{(2S)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-L-valinamide, Protease, ZINC ION | Authors: | Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. | Deposit date: | 2010-01-25 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
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6Q4G
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![BU of 6q4g by Molmil](/molmil-images/mine/6q4g) | CDK2 in complex with FragLite37 | Descriptor: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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4YOE
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![BU of 4yoe by Molmil](/molmil-images/mine/4yoe) | Structure of UP1 bound to RNA 5'-AGU-3' | Descriptor: | ACETATE ION, Heterogeneous nuclear ribonucleoprotein A1, RNA AGU, ... | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2015-03-11 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The First Crystal Structure of the UP1 Domain of hnRNP A1 Bound to RNA Reveals a New Look for an Old RNA Binding Protein. J.Mol.Biol., 427, 2015
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3L5I
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![BU of 3l5i by Molmil](/molmil-images/mine/3l5i) | Crystal structure of FnIII domains of human GP130 (Domains 4-6) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-6 receptor subunit beta | Authors: | Kershaw, N.J, Zhang, J.-G, Garrett, T.P.J, Czabotar, P.E. | Deposit date: | 2009-12-22 | Release date: | 2010-05-12 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes. J.Biol.Chem., 285, 2010
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4YGZ
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4YOP
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![BU of 4yop by Molmil](/molmil-images/mine/4yop) | CRYSTAL STRUCTURE OF HEN EGG-WHITE LYSOZYME | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Sugahara, M, Nakane, T, Suzuki, M, Nango, E. | Deposit date: | 2015-03-12 | Release date: | 2015-12-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Native sulfur/chlorine SAD phasing for serial femtosecond crystallography Acta Crystallogr.,Sect.D, 71, 2015
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6PU5
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![BU of 6pu5 by Molmil](/molmil-images/mine/6pu5) | MicroED structure of proteinase K recorded on CetaD | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Hattne, J, Martynowycz, M.W, Penzcek, P.A, Gonen, T. | Deposit date: | 2019-07-17 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | ELECTRON CRYSTALLOGRAPHY (2.7 Å) | Cite: | MicroED with the Falcon III direct electron detector. Iucrj, 6, 2019
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