1HJX
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![BU of 1hjx by Molmil](/molmil-images/mine/1hjx) | Ligand-induced signalling and conformational change of the 39 kD glycoprotein from human articular chondrocytes | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE-3 LIKE PROTEIN 1, GLYCEROL, ... | Authors: | Houston, D.R, Recklies, A.D, Krupa, J.C, Van Aalten, D.M.F. | Deposit date: | 2003-02-28 | Release date: | 2003-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure and Ligand-Induced Conformational Change of the 39-kDa Glycoprotein from Human Articular Chondrocytes J.Biol.Chem., 278, 2003
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4D1C
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![BU of 4d1c by Molmil](/molmil-images/mine/4d1c) | STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER, IN A CLOSED CONFORMATION WITH bromovinylhydantoin bound. | Descriptor: | (5Z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione, HYDANTOIN TRANSPORT PROTEIN, SODIUM ION | Authors: | Weyand, S, Brueckner, F, Geng, T, Drew, D, Iwata, S, Henderson, P.J.F, Cameron, A.D. | Deposit date: | 2014-05-01 | Release date: | 2014-07-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Molecular Mechanism of Ligand Recognition by Membrane Transport Protein, Mhp1. Embo J., 33, 2014
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4DEL
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![BU of 4del by Molmil](/molmil-images/mine/4del) | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis | Descriptor: | ACETATE ION, Fructose-bisphosphate aldolase, HEXAETHYLENE GLYCOL, ... | Authors: | Pegan, S.D, Mesecar, A.D. | Deposit date: | 2012-01-20 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis. Biochemistry, 52, 2013
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1P45
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![BU of 1p45 by Molmil](/molmil-images/mine/1p45) | Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Kuo, M.R, Morbidoni, H.R, Alland, D, Sneddon, S.F, Gourlie, B.B, Staveski, M.M, Leonard, M, Gregory, J.S, Janjigian, A.D, Yee, C, Musser, J.M, Kreiswirth, B.N, Iwamoto, H, Perozzo, R, Jacobs Jr, W.R, Sacchettini, J.C, Fidock, D.A, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-04-21 | Release date: | 2003-09-16 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data. J.Biol.Chem., 278, 2003
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6XYJ
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![BU of 6xyj by Molmil](/molmil-images/mine/6xyj) | |
6YB7
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![BU of 6yb7 by Molmil](/molmil-images/mine/6yb7) | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19). | Descriptor: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | Deposit date: | 2020-03-16 | Release date: | 2020-03-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | COVID-19 main protease with unliganded active site To Be Published
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6X91
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![BU of 6x91 by Molmil](/molmil-images/mine/6x91) | Crystal structure of MBP-fused human APOBEC1 | Descriptor: | CACODYLATE ION, Maltodextrin-binding protein, C->U-editing enzyme APOBEC-1 chimera, ... | Authors: | Wolfe, A.D, Li, S.-X, Chen, X.S. | Deposit date: | 2020-06-02 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | The structure of APOBEC1 and insights into its RNA and DNA substrate selectivity. NAR Cancer, 2, 2020
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6Y57
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![BU of 6y57 by Molmil](/molmil-images/mine/6y57) | Structure of human ribosome in hybrid-PRE state | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A. | Deposit date: | 2020-02-25 | Release date: | 2020-04-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes. Cell Rep, 31, 2020
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6Y84
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![BU of 6y84 by Molmil](/molmil-images/mine/6y84) | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19) | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | Deposit date: | 2020-03-03 | Release date: | 2020-03-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | COVID-19 main protease with unliganded active site To Be Published
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4AU1
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![BU of 4au1 by Molmil](/molmil-images/mine/4au1) | Crystal Structure of CobH (precorrin-8x methyl mutase) complexed with C5 desmethyl-HBA | Descriptor: | DESMETHYL-HBA, PRECORRIN-8X METHYLMUTASE, SULFATE ION | Authors: | Deery, E, Lawrence, A.D, Schroeder, S, Taylor, S.L, Seyedarabi, A, Vevodova, J, Wilson, K.S, Brown, D, Geeves, M.A, Howard, M.J, Pickersgill, R.W, Warren, M.J. | Deposit date: | 2012-05-11 | Release date: | 2012-09-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | An Enzyme-Trap Approach Allows Isolation of Intermediates in Cobalamin Biosynthesis Nat.Chem.Biol., 8, 2012
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6Y2L
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![BU of 6y2l by Molmil](/molmil-images/mine/6y2l) | Structure of human ribosome in POST state | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | Authors: | Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A. | Deposit date: | 2020-02-16 | Release date: | 2020-04-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes. Cell Rep, 31, 2020
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6WCO
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![BU of 6wco by Molmil](/molmil-images/mine/6wco) | |
4DTK
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![BU of 4dtk by Molmil](/molmil-images/mine/4dtk) | Novel and selective pan-PIM kinase inhibitor | Descriptor: | (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, SULFATE ION, ... | Authors: | Ferguson, A.D. | Deposit date: | 2012-02-21 | Release date: | 2012-07-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases. Bioorg.Med.Chem.Lett., 22, 2012
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6XMK
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![BU of 6xmk by Molmil](/molmil-images/mine/6xmk) | 1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 7j | Descriptor: | (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-06-30 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
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1P44
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![BU of 1p44 by Molmil](/molmil-images/mine/1p44) | Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data | Descriptor: | 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Kuo, M.R, Morbidoni, H.R, Alland, D, Sneddon, S.F, Gourlie, B.B, Staveski, M.M, Leonard, M, Gregory, J.S, Janjigian, A.D, Yee, C, Musser, J.M, Kreiswirth, B, Iwamoto, H, Perozzo, R, Jacobs Jr, W.R, Sacchettini, J.C, Fidock, D.A, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-04-21 | Release date: | 2003-09-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data. J.Biol.Chem., 278, 2003
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4AU5
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![BU of 4au5 by Molmil](/molmil-images/mine/4au5) | Structure of the NhaA dimer, crystallised at low pH | Descriptor: | DODECYL-ALPHA-D-MALTOSIDE, NA(+)/H(+) ANTIPORTER NHAA, SULFATE ION | Authors: | Drew, D, Lee, C, Iwata, S, Cameron, A.D. | Deposit date: | 2012-05-14 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.696 Å) | Cite: | Crystal structure of the sodium-proton antiporter NhaA dimer and new mechanistic insights. J. Gen. Physiol., 144, 2014
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1N5Y
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![BU of 1n5y by Molmil](/molmil-images/mine/1n5y) | HIV-1 Reverse Transcriptase Crosslinked to Post-Translocation AZTMP-Terminated DNA (Complex P) | Descriptor: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3', 5'-D(*AP*TP*GP*C*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | Authors: | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, P, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | Deposit date: | 2002-11-07 | Release date: | 2003-01-28 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of HIV-1 Reverse Transcriptase with Pre-Translocation and Post-Translocation AZTMP-Terminated DNA Embo J., 21, 2002
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4ERL
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![BU of 4erl by Molmil](/molmil-images/mine/4erl) | |
1N6Q
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![BU of 1n6q by Molmil](/molmil-images/mine/1n6q) | HIV-1 Reverse Transcriptase Crosslinked to pre-translocation AZTMP-terminated DNA (complex N) | Descriptor: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3', 5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | Authors: | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, I, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | Deposit date: | 2002-11-11 | Release date: | 2003-01-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of HIV-1 Reverse Transcriptase with Pre- and Post-translocation AZTMP-terminated DNA Embo J., 21, 2002
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6WIN
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![BU of 6win by Molmil](/molmil-images/mine/6win) | Type 6 secretion amidase effector 2 (Tae2) | Descriptor: | Type 6 secretion amidase effector 2 | Authors: | Chou, S, Radkov, A.D. | Deposit date: | 2020-04-10 | Release date: | 2020-04-22 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Ticks Resist Skin Commensals with Immune Factor of Bacterial Origin. Cell, 183, 2020
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4C83
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![BU of 4c83 by Molmil](/molmil-images/mine/4c83) | Crystal Structure of the IgG2a LPT3 in complex with an 8-sugar inner core analogue of Neisseria meningitidis | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-L-glycero-alpha-D-manno-heptopyranose-(1-3)-[beta-D-glucopyranose-(1-4)]L-glycero-alpha-D-manno-heptopyranose-(1-5)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, LPT3 HEAVY CHAIN, LPT3 LIGHT CHAIN, ... | Authors: | Parker, M.J, Gomery, K, Richard, G, Mackenzie, C.R, Cox, A.D, Richards, J.C, Evans, S.V. | Deposit date: | 2013-09-29 | Release date: | 2014-02-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural Basis for Selective Cross-Reactivity in a Bactericidal Antibody Against Inner Core Lipooligosaccharide from Neisseria Meningitidis. Glycobiology, 24, 2014
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6Y0G
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![BU of 6y0g by Molmil](/molmil-images/mine/6y0g) | Structure of human ribosome in classical-PRE state | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | Authors: | Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A. | Deposit date: | 2020-02-07 | Release date: | 2020-04-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes. Cell Rep, 31, 2020
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6Z83
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![BU of 6z83 by Molmil](/molmil-images/mine/6z83) | CK2 alpha bound to chemical probe SGC-CK2-1 | Descriptor: | Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-02 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.171 Å) | Cite: | Development of a potent and selective chemical probe for the pleiotropic kinase CK2. Cell Chem Biol, 28, 2021
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4DMX
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![BU of 4dmx by Molmil](/molmil-images/mine/4dmx) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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4DMY
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![BU of 4dmy by Molmil](/molmil-images/mine/4dmy) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ... | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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