5E1W
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8P9O
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![BU of 8p9o by Molmil](/molmil-images/mine/8p9o) | PCNA from Chaetomium thermophilum in complex with PolD3 peptide | Descriptor: | Proliferating cell nuclear antigen, Synthetic peptide corresponding to amino acids 437 to 451 of PolD3 from Chaetomium thermophilum | Authors: | Alphey, M.S, Wolford, C.B, MacNeill, S.A. | Deposit date: | 2023-06-06 | Release date: | 2023-12-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Canonical binding of Chaetomium thermophilum DNA polymerase delta / zeta subunit PolD3 and flap endonuclease Fen1 to PCNA. Front Mol Biosci, 10, 2023
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8P45
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![BU of 8p45 by Molmil](/molmil-images/mine/8p45) | Crystal structure of human STING in complex with the agonist MD1202D | Descriptor: | 9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein | Authors: | Klima, M, Boura, E. | Deposit date: | 2023-05-19 | Release date: | 2023-12-20 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function. Structure, 32, 2024
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8ORV
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![BU of 8orv by Molmil](/molmil-images/mine/8orv) | Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1203 | Descriptor: | 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, MPXVgp165 | Authors: | Duchoslav, V, Klima, M, Boura, E. | Deposit date: | 2023-04-17 | Release date: | 2023-12-20 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function. Structure, 32, 2024
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8P44
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![BU of 8p44 by Molmil](/molmil-images/mine/8p44) | Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1202D | Descriptor: | 9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, MPXVgp165 | Authors: | Duchoslav, V, Klima, M, Boura, E. | Deposit date: | 2023-05-19 | Release date: | 2023-12-20 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function. Structure, 32, 2024
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1AIP
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![BU of 1aip by Molmil](/molmil-images/mine/1aip) | EF-TU EF-TS COMPLEX FROM THERMUS THERMOPHILUS | Descriptor: | ELONGATION FACTOR TS, ELONGATION FACTOR TU | Authors: | Wang, Y, Jiang, Y, Meyering-Voss, M, Sprinzl, M, Sigler, P.B. | Deposit date: | 1997-04-22 | Release date: | 1997-10-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the EF-Tu.EF-Ts complex from Thermus thermophilus. Nat.Struct.Biol., 4, 1997
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8ORW
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![BU of 8orw by Molmil](/molmil-images/mine/8orw) | Crystal structure of human STING in complex with the agonist MD1203 | Descriptor: | 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon protein | Authors: | Klima, M, Boura, E. | Deposit date: | 2023-04-17 | Release date: | 2023-12-20 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function. Structure, 32, 2024
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4WNB
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![BU of 4wnb by Molmil](/molmil-images/mine/4wnb) | Crystal structure of the ChsH1-ChsH2 complex from Mycobacterium tuberculosis bound to 3-OPC-CoA | Descriptor: | 3-oxo-4-pregnene-20-carboxyl-Coenzyme A, CADMIUM ION, CALCIUM ION, ... | Authors: | Guja, K.E, Yang, M, Sampson, N, Garcia-Diaz, M. | Deposit date: | 2014-10-11 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A Distinct MaoC-like Enoyl-CoA Hydratase Architecture Mediates Cholesterol Catabolism in Mycobacterium tuberculosis. Acs Chem.Biol., 9, 2014
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7NE1
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![BU of 7ne1 by Molmil](/molmil-images/mine/7ne1) | Structure of the complex between Netrin-1 and its receptor Neogenin | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2021-02-02 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling. Cell, 184, 2021
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7NDG
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![BU of 7ndg by Molmil](/molmil-images/mine/7ndg) | Cryo-EM structure of the ternary complex between Netrin-1, Neogenin and Repulsive Guidance Molecule B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neogenin, ... | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2021-02-01 | Release date: | 2021-03-31 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (5.98 Å) | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling. Cell, 184, 2021
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7NE0
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![BU of 7ne0 by Molmil](/molmil-images/mine/7ne0) | Structure of the ternary complex between Netrin-1, Repulsive-Guidance Molecule-B (RGMB) and Neogenin | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2021-02-02 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling. Cell, 184, 2021
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4WF5
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![BU of 4wf5 by Molmil](/molmil-images/mine/4wf5) | Crystal structure of E.Coli DsbA soaked with compound 4 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, ... | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | Deposit date: | 2014-09-12 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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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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7AC4
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![BU of 7ac4 by Molmil](/molmil-images/mine/7ac4) | Structure of insulin collected by rotation serial crystallography on a COC membrane at a synchrotron source | Descriptor: | Insulin, R-1,2-PROPANEDIOL, SODIUM ION | Authors: | Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M. | Deposit date: | 2020-09-09 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Versatile microporous polymer-based supports for serial macromolecular crystallography. Acta Crystallogr D Struct Biol, 77, 2021
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7AC2
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![BU of 7ac2 by Molmil](/molmil-images/mine/7ac2) | Structure of Hen Egg White Lysozyme collected by rotation serial crystallography on a COC membrane at a synchrotron source | Descriptor: | CHLORIDE ION, Lysozyme, SODIUM ION | Authors: | Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M. | Deposit date: | 2020-09-09 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.507 Å) | Cite: | Versatile microporous polymer-based supports for serial macromolecular crystallography. Acta Crystallogr D Struct Biol, 77, 2021
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7AC3
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![BU of 7ac3 by Molmil](/molmil-images/mine/7ac3) | Structure of thaumatin collected by rotation serial crystallography on a COC membrane at a synchrotron source | Descriptor: | L(+)-TARTARIC ACID, S-1,2-PROPANEDIOL, SODIUM ION, ... | Authors: | Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M. | Deposit date: | 2020-09-09 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Versatile microporous polymer-based supports for serial macromolecular crystallography. Acta Crystallogr D Struct Biol, 77, 2021
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7AC6
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![BU of 7ac6 by Molmil](/molmil-images/mine/7ac6) | Structure of sponge-phase grown PepTst2 collected by rotation serial crystallography on a COC membrane at a synchrotron source | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(2-METHOXYETHOXY)ETHANOL, Di-or tripeptide:H+ symporter, ... | Authors: | Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Wang, M, Marsh, M. | Deposit date: | 2020-09-10 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Versatile microporous polymer-based supports for serial macromolecular crystallography. Acta Crystallogr D Struct Biol, 77, 2021
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5VTH
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![BU of 5vth by Molmil](/molmil-images/mine/5vth) | CTX-M-14 P167S:E166A mutant | Descriptor: | Beta-lactamase | Authors: | Hu, L, Patel, M, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2017-05-17 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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199D
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![BU of 199d by Molmil](/molmil-images/mine/199d) | Solution structure of the monoalkylated mitomycin c-DNA complex | Descriptor: | CARBAMIC ACID 2,6-DIAMINO-5-METHYL-4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER, DNA (5'-D(*(DI)P*CP*AP*CP*GP*TP*CP*(DI)P*T)-3'), DNA (5'-D(*AP*CP*GP*AP*CP*GP*TP*GP*C)-3') | Authors: | Sastry, M, Fiala, R, Lipman, R, Tomasz, M, Patel, D.J. | Deposit date: | 1994-12-01 | Release date: | 1995-02-07 | Last modified: | 2024-03-13 | Method: | SOLUTION NMR | Cite: | Solution structure of the monoalkylated mitomycin C-DNA complex. J.Mol.Biol., 247, 1995
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1MFP
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![BU of 1mfp by Molmil](/molmil-images/mine/1mfp) | E. coli Enoyl Reductase in complex with NAD and SB611113 | Descriptor: | (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | Authors: | Seefeld, M.A, Miller, W.H, Newlander, K.A, Burgess, W.J, DeWolf Jr, W.E, Elkins, P.A, Head, M.S, Jakas, D.R, Janson, C.A, Keller, P.M, Manley, P.J, Moore, T.D, Payne, D.J, Pearson, S, Polizzi, B.J, Qiu, X, Rittenhouse, S.F, Uzinskas, I.N, Wallis, N.G, Huffman, W.F. | Deposit date: | 2002-08-13 | Release date: | 2003-05-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK J.MED.CHEM., 46, 2003
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7C41
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![BU of 7c41 by Molmil](/molmil-images/mine/7c41) | KRAS G12V and H-REV107 peptide complex | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, HRAS-like suppressor 3, ... | Authors: | Han, C.W, Jeong, M.S, Jang, S.B. | Deposit date: | 2020-05-14 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.276 Å) | Cite: | A H-REV107 Peptide Inhibits Tumor Growth and Interacts Directly with Oncogenic KRAS Mutants. Cancers (Basel), 12, 2020
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1MK3
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![BU of 1mk3 by Molmil](/molmil-images/mine/1mk3) | SOLUTION STRUCTURE OF HUMAN BCL-W PROTEIN | Descriptor: | Apoptosis regulator Bcl-W | Authors: | Denisov, A.Y, Madiraju, M.S, Chen, G, Khadir, A, Beauparlant, P, Attardo, G, Shore, G.C, Gehring, K. | Deposit date: | 2002-08-28 | Release date: | 2003-06-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of human BCL-w: modulation of ligand binding by the C-terminal helix J.BIOL.CHEM., 278, 2003
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7C3Z
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![BU of 7c3z by Molmil](/molmil-images/mine/7c3z) | |
7C40
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![BU of 7c40 by Molmil](/molmil-images/mine/7c40) | MgGDP bound KRAS G12V | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Han, C.W, Jeong, M.S, Jang, S.B. | Deposit date: | 2020-05-14 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.516 Å) | Cite: | A H-REV107 Peptide Inhibits Tumor Growth and Interacts Directly with Oncogenic KRAS Mutants. Cancers (Basel), 12, 2020
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4X6H
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![BU of 4x6h by Molmil](/molmil-images/mine/4x6h) | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. | Descriptor: | 4-amino-3-fluoro-N-(1-{[(2Z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide, 4-amino-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide, Cathepsin K, ... | Authors: | Borisek, J, Mohar, B, Vizovisek, M, Sosnowski, P, Turk, D, Turk, B, Novic, M. | Deposit date: | 2014-12-08 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. J.Med.Chem., 58, 2015
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