4CDF
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![BU of 4cdf by Molmil](/molmil-images/mine/4cdf) | Human DPP1 in complex with (2S,4S)-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)-4-hydroxy-piperidine-2-carboxamide | Descriptor: | (2S,4S)-N-[(2S)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | Deposit date: | 2013-10-31 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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4ZZY
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![BU of 4zzy by Molmil](/molmil-images/mine/4zzy) | Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor | Descriptor: | 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 2 | Authors: | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | Deposit date: | 2015-04-15 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy. J.Med.Chem., 58, 2015
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6YUG
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![BU of 6yug by Molmil](/molmil-images/mine/6yug) | Crystal structure of C. parvum GNA1 in complex with acetyl-CoA and glucose 6P. | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, Diamine acetyltransferase | Authors: | Chi, J, Cova, M, de las Rivas, M, Medina, A, Borges, R, Leivar, P, Planas, A, Uson, I, Hurtado-Guerrero, R, Izquierdo, L. | Deposit date: | 2020-04-27 | Release date: | 2020-09-30 | Last modified: | 2020-11-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Plasmodium falciparum Apicomplexan-Specific Glucosamine-6-Phosphate N -Acetyltransferase Is Key for Amino Sugar Metabolism and Asexual Blood Stage Development. Mbio, 11, 2020
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8RQ0
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![BU of 8rq0 by Molmil](/molmil-images/mine/8rq0) | Escherichia coli 50S subunit in complex with the antimicrobial peptide Api88 - conformation II | Descriptor: | 23S ribosomal RNA, 5S ribosomal RNA, Apidaecins type 88, ... | Authors: | Lauer, S, Nikolay, R, Spahn, C. | Deposit date: | 2024-01-17 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88. Nat Commun, 15, 2024
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4X86
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![BU of 4x86 by Molmil](/molmil-images/mine/4x86) | Crystal structure of BAG6-Ubl4a complex | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Large proline-rich protein BAG6, SULFATE ION, ... | Authors: | Kuwabara, N, Kato, R. | Deposit date: | 2014-12-10 | Release date: | 2015-02-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of a BAG6 (Bcl-2-associated Athanogene 6)-Ubl4a (Ubiquitin-like Protein 4a) Complex Reveals a Novel Binding Interface That Functions in Tail-anchored Protein Biogenesis J.Biol.Chem., 290, 2015
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5DIS
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![BU of 5dis by Molmil](/molmil-images/mine/5dis) | Crystal structure of a CRM1-RanGTP-SPN1 export complex bound to a 113 amino acid FG-repeat containing fragment of Nup214 | Descriptor: | Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Monecke, T, Port, S.A, Dickmanns, A, Kehlenbach, R.H, Ficner, R. | Deposit date: | 2015-09-01 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural and Functional Characterization of CRM1-Nup214 Interactions Reveals Multiple FG-Binding Sites Involved in Nuclear Export. Cell Rep, 13, 2015
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4WV3
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![BU of 4wv3 by Molmil](/molmil-images/mine/4wv3) | Crystal structure of the anthranilate CoA ligase AuaEII in complex with anthranoyl-AMP | Descriptor: | 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate-CoA ligase | Authors: | Tsai, S.C, Muller, R, Jackson, D.R, Tu, S.S, Nguyen, M, Barajas, J.F, Pistorious, D, Krug, D. | Deposit date: | 2014-11-04 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.599 Å) | Cite: | Structural Insights into Anthranilate Priming during Type II Polyketide Biosynthesis. Acs Chem.Biol., 11, 2016
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8PK8
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![BU of 8pk8 by Molmil](/molmil-images/mine/8pk8) | |
8PKA
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![BU of 8pka by Molmil](/molmil-images/mine/8pka) | |
8PK9
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![BU of 8pk9 by Molmil](/molmil-images/mine/8pk9) | |
4WX9
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![BU of 4wx9 by Molmil](/molmil-images/mine/4wx9) | Crystal structure of Mycobacterium tuberculosis OGT in complex with DNA | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*TP*GP*(E1X)P*CP*TP*AP*GP*TP*A)-3'), DNA (5'-D(P*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*GP*C)-3'), GLYCEROL, ... | Authors: | Miggiano, R, Rossi, F, Garavaglia, S, Rizzi, M. | Deposit date: | 2014-11-13 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis O6-methylguanine-DNA methyltransferase protein clusters assembled on to damaged DNA. Biochem.J., 473, 2016
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8PJO
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![BU of 8pjo by Molmil](/molmil-images/mine/8pjo) | Cryo EM structure of the type 3D polymorph of alpha-synuclein E46K mutant at low pH. | Descriptor: | Alpha-synuclein, CHLORIDE ION | Authors: | Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R. | Deposit date: | 2023-06-23 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.31 Å) | Cite: | On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation Elife, 2023
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7X7N
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![BU of 7x7n by Molmil](/molmil-images/mine/7x7n) | 3D model of the 3-RBD up single trimeric spike protein of SARS-CoV2 in the presence of synthetic peptide SIH-5. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, Synthetic peptide SIH-5 | Authors: | Khatri, B, Pramanick, I, Malladi, S.K, Rajmani, R.S, Kumar, S, Ghosh, P, Sengupta, N, Rahisuddin, R, Kumaran, S, Ringe, R.P, Varadarajan, R, Dutta, S, Chatterjee, J. | Deposit date: | 2022-03-10 | Release date: | 2022-04-27 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (4.47 Å) | Cite: | A dimeric proteomimetic prevents SARS-CoV-2 infection by dimerizing the spike protein. Nat.Chem.Biol., 18, 2022
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8PK4
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![BU of 8pk4 by Molmil](/molmil-images/mine/8pk4) | Cryo EM structure of the type 5A polymorph of alpha-synuclein. | Descriptor: | Alpha-synuclein | Authors: | Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R. | Deposit date: | 2023-06-24 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation Elife, 2023
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8PK2
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![BU of 8pk2 by Molmil](/molmil-images/mine/8pk2) | Cryo EM structure of the type 1m polymorph of alpha-synuclein | Descriptor: | Alpha-synuclein | Authors: | Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R. | Deposit date: | 2023-06-24 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation Elife, 2023
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4WXD
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![BU of 4wxd by Molmil](/molmil-images/mine/4wxd) | Crystal structure of Mycobacterium tuberculosis OGT-R37K | Descriptor: | GLYCEROL, Methylated-DNA--protein-cysteine methyltransferase | Authors: | Miggiano, R, Rossi, F, Garavaglia, S, Rizzi, M. | Deposit date: | 2014-11-13 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis O6-methylguanine-DNA methyltransferase protein clusters assembled on to damaged DNA. Biochem.J., 473, 2016
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8R7D
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![BU of 8r7d by Molmil](/molmil-images/mine/8r7d) | |
8RPY
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![BU of 8rpy by Molmil](/molmil-images/mine/8rpy) | Escherichia coli 50S subunit in complex with the antimicrobial peptide Api137 | Descriptor: | 23S ribosomal RNA, 5S ribosomal RNA, Apidaecins type 137, ... | Authors: | Lauer, S, Nikolay, R, Spahn, C. | Deposit date: | 2024-01-17 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88. Nat Commun, 15, 2024
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5JDE
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1G9H
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![BU of 1g9h by Molmil](/molmil-images/mine/1g9h) | TERNARY COMPLEX BETWEEN PSYCHROPHILIC ALPHA-AMYLASE, COMII (PSEUDO TRI-SACCHARIDE FROM BAYER) AND TRIS (2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose-(1-4)-beta-D-glucopyranose, ALPHA-AMYLASE, ... | Authors: | Aghajari, N, Roth, M, Haser, R. | Deposit date: | 2000-11-23 | Release date: | 2002-06-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic evidence of a transglycosylation reaction: ternary complexes of a
psychrophilic alpha-amylase. Biochemistry, 41, 2002
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8RPZ
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![BU of 8rpz by Molmil](/molmil-images/mine/8rpz) | Escherichia coli 50S subunit in complex with the antimicrobial peptide Api88 - conformation I | Descriptor: | 23S ribosomal RNA, 5S ribosomal RNA, Apidaecins type 88, ... | Authors: | Lauer, S, Nikolay, R, Spahn, C. | Deposit date: | 2024-01-17 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88. Nat Commun, 15, 2024
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8RQ2
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![BU of 8rq2 by Molmil](/molmil-images/mine/8rq2) | Escherichia coli 50S subunit in complex with the antimicrobial peptide Api88 - conformation III | Descriptor: | 23S ribosomal RNA, 5S ribosomal RNA, Apidaecins type 88, ... | Authors: | Lauer, S, Nikolay, R, Spahn, C. | Deposit date: | 2024-01-17 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88. Nat Commun, 15, 2024
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5D7V
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![BU of 5d7v by Molmil](/molmil-images/mine/5d7v) | Crystal structure of PTK6 kinase domain | Descriptor: | GLYCEROL, PHOSPHATE ION, Protein-tyrosine kinase 6 | Authors: | Thakur, M.K, Birudukota, S, Swaminathan, S, Tyagi, R, Gosu, R. | Deposit date: | 2015-08-14 | Release date: | 2016-08-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal structure of the kinase domain of human protein tyrosine kinase 6 (PTK6) at 2.33 angstrom resolution Biochem.Biophys.Res.Commun., 478, 2016
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3BMY
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![BU of 3bmy by Molmil](/molmil-images/mine/3bmy) | Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | Descriptor: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F. | Deposit date: | 2007-12-13 | Release date: | 2008-07-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90. J.Med.Chem., 51, 2008
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4WIM
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![BU of 4wim by Molmil](/molmil-images/mine/4wim) | |