4UXL
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![BU of 4uxl by Molmil](/molmil-images/mine/4uxl) | Structure of Human ROS1 Kinase Domain in Complex with PF-06463922 | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2014-08-25 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations. Proc.Natl.Acad.Sci.USA, 112, 2015
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1W1I
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![BU of 1w1i by Molmil](/molmil-images/mine/1w1i) | Crystal structure of dipeptidyl peptidase IV (DPPIV or CD26) in complex with adenosine deaminase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H. | Deposit date: | 2004-06-22 | Release date: | 2004-09-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Crystal structure of CD26/dipeptidyl-peptidase IV in complex with adenosine deaminase reveals a highly amphiphilic interface. J. Biol. Chem., 279, 2004
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1MZA
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![BU of 1mza by Molmil](/molmil-images/mine/1mza) | crystal structure of human pro-granzyme K | Descriptor: | pro-granzyme K | Authors: | Hink-Schauer, C, Estebanez-Perpina, E, Wilharm, E, Fuentes-Prior, P, Klinkert, W, Bode, W, Jenne, D.E. | Deposit date: | 2002-10-07 | Release date: | 2003-01-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The 2.2-A Crystal Structure of Human Pro-granzyme K Reveals a Rigid Zymogen with Unusual Features J.BIOL.CHEM., 277, 2002
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5DJO
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![BU of 5djo by Molmil](/molmil-images/mine/5djo) | Crystal structure of the CC1-FHA tandem of Kinesin-3 KIF13A | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | Authors: | Ren, J.Q, Li, W, Huo, L, Feng, W. | Deposit date: | 2015-09-02 | Release date: | 2015-12-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural Correlation of the Neck Coil with the Coiled-coil (CC1)-Forkhead-associated (FHA) Tandem for Active Kinesin-3 KIF13A J.Biol.Chem., 291, 2016
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7QKB
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![BU of 7qkb by Molmil](/molmil-images/mine/7qkb) | Crystal structure of human Cathepsin L in complex with covalently bound GC376 | Descriptor: | CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKA
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![BU of 7qka by Molmil](/molmil-images/mine/7qka) | Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKC
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![BU of 7qkc by Molmil](/molmil-images/mine/7qkc) | Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin | Descriptor: | Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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2XPV
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![BU of 2xpv by Molmil](/molmil-images/mine/2xpv) | TetR(D) in complex with minocycline and magnesium. | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Dalm, D, Proft, J, Palm, G.J, Hinrichs, W. | Deposit date: | 2010-08-30 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Tetr(D) in Complex with Minocycline. To be Published
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2XPU
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![BU of 2xpu by Molmil](/molmil-images/mine/2xpu) | TetR(D) in complex with anhydrotetracycline. | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, SULFATE ION, ... | Authors: | Dalm, D, Palm, G.J, Hinrichs, W. | Deposit date: | 2010-08-30 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition. Biochemistry, 53, 2014
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4WB0
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![BU of 4wb0 by Molmil](/molmil-images/mine/4wb0) | |
6QCD
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![BU of 6qcd by Molmil](/molmil-images/mine/6qcd) | Human Sirt6 in complex with ADP-ribose and the activator quercetin | Descriptor: | 1,2-ETHANEDIOL, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | You, W, Steegborn, C. | Deposit date: | 2018-12-27 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives. Sci Rep, 9, 2019
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6QCN
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![BU of 6qcn by Molmil](/molmil-images/mine/6qcn) | Human Sirt2 in complex with ADP-ribose and the inhibitor quercetin | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | Authors: | Riemer, S, You, W, Steegborn, C. | Deposit date: | 2018-12-29 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives. Sci Rep, 9, 2019
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4UV3
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![BU of 4uv3 by Molmil](/molmil-images/mine/4uv3) | Structure of the curli transport lipoprotein CsgG in its membrane- bound conformation | Descriptor: | CURLI PRODUCTION ASSEMBLY/TRANSPORT COMPONENT CSGG | Authors: | Goyal, P, Krasteva, P.V, Gerven, N.V, Gubellini, F, Broeck, I.V.D, Troupiotis-Tsailaki, A, Jonckheere, W, Pehau-Arnaudet, G, Pinkner, J.S, Chapman, M.R, Hultgren, S.J, Howorka, S, Fronzes, R, Remaut, H. | Deposit date: | 2014-08-04 | Release date: | 2014-09-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Structural and Mechanistic Insights Into the Bacterial Amyloid Secretion Channel Csgg. Nature, 516, 2014
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4V1O
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![BU of 4v1o by Molmil](/molmil-images/mine/4v1o) | Architecture of the RNA polymerase II-Mediator core transcription initiation complex | Descriptor: | DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ... | Authors: | Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P. | Deposit date: | 2014-09-29 | Release date: | 2015-02-04 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (9.7 Å) | Cite: | Architecture of the RNA Polymerase II-Mediator Core Initiation Complex. Nature, 518, 2015
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4W7H
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![BU of 4w7h by Molmil](/molmil-images/mine/4w7h) | Crystal Structure of DEH Reductase A1-R Mutant | Descriptor: | Carbonyl reductase | Authors: | Takase, R, Mikami, B, Kawai, S, Murata, K, Hashimoto, W. | Deposit date: | 2014-08-22 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structure-based Conversion of the Coenzyme Requirement of a Short-chain Dehydrogenase/Reductase Involved in Bacterial Alginate Metabolism. J.Biol.Chem., 289, 2014
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6QCE
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![BU of 6qce by Molmil](/molmil-images/mine/6qce) | |
6QCH
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![BU of 6qch by Molmil](/molmil-images/mine/6qch) | |
7QGW
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![BU of 7qgw by Molmil](/molmil-images/mine/7qgw) | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Calpeptin, ... | Authors: | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | Deposit date: | 2021-12-10 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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4URD
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![BU of 4urd by Molmil](/molmil-images/mine/4urd) | Cryo-EM map of Trigger Factor bound to a translating ribosome | Descriptor: | TRIGGER FACTOR | Authors: | Deeng, J, Chan, K.Y, van der Sluis, E, Bischoff, L, Berninghausen, O, Han, W, Gumbart, J, Schulten, K, Beatrix, B, Beckmann, R. | Deposit date: | 2014-06-27 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Dynamic Behavior of Trigger Factor on the Ribosome. J.Mol.Biol., 428, 2016
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4V4N
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![BU of 4v4n by Molmil](/molmil-images/mine/4v4n) | Structure of the Methanococcus jannaschii ribosome-SecYEBeta channel complex | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein L7AE, ... | Authors: | Menetret, J.F, Park, E, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A, Akey, C.W. | Deposit date: | 2013-06-17 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Structure of the SecY channel during initiation of protein translocation. Nature, 506, 2013
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3TPI
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![BU of 3tpi by Molmil](/molmil-images/mine/3tpi) | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, ISOLEUCINE, ... | Authors: | Huber, R, Bode, W, Deisenhofer, J, Schwager, P. | Deposit date: | 1982-09-27 | Release date: | 1983-01-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983
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6Z1V
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![BU of 6z1v by Molmil](/molmil-images/mine/6z1v) | Structure of the EC2 domain of CD9 in complex with nanobody 4E8 | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CD9 antigen, ... | Authors: | Oosterheert, W, Pearce, N.M, Gros, P. | Deposit date: | 2020-05-14 | Release date: | 2020-09-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F. Life Sci Alliance, 3, 2020
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6Z20
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![BU of 6z20 by Molmil](/molmil-images/mine/6z20) | Structure of the EC2 domain of CD9 in complex with nanobody 4C8 | Descriptor: | CD9 antigen, CHLORIDE ION, GLYCEROL, ... | Authors: | Oosterheert, W, Manshande, J, Pearce, N.M, Lutz, M, Gros, P. | Deposit date: | 2020-05-14 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F. Life Sci Alliance, 3, 2020
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5W1Y
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![BU of 5w1y by Molmil](/molmil-images/mine/5w1y) | SETD8 in complex with a covalent inhibitor | Descriptor: | 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION | Authors: | Tempel, W, Yu, W, Li, Y, Blum, G, Luo, M, Pittella-Silva, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-05 | Release date: | 2017-06-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | SETD8 in complex with a covalent inhibitor to be published
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5VKQ
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![BU of 5vkq by Molmil](/molmil-images/mine/5vkq) | Structure of a mechanotransduction ion channel Drosophila NOMPC in nanodisc | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, No mechanoreceptor potential C isoform L | Authors: | Jin, P, Bulkley, D, Guo, Y, Zhang, W, Guo, Z, Huynh, W, Wu, S, Meltzer, S, Chen, T, Jan, L.Y, Jan, Y.-N, Cheng, Y. | Deposit date: | 2017-04-22 | Release date: | 2017-06-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Electron cryo-microscopy structure of the mechanotransduction channel NOMPC. Nature, 547, 2017
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