7W12
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![BU of 7w12 by Molmil](/molmil-images/mine/7w12) | Complex structure of alginate lyase AlyB-OU02 with G9 | Descriptor: | Alginate lyase, SULFATE ION, alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid | Authors: | Liu, W.Z, Lyu, Q.Q, Zhang, K.K. | Deposit date: | 2021-11-19 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Determination of oligosaccharide product distributions of PL7 alginate lyases by their structural elements. Commun Biol, 5, 2022
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7W16
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![BU of 7w16 by Molmil](/molmil-images/mine/7w16) | Complex structure of alginate lyase AlyV with M8 | Descriptor: | GLYCEROL, alginate lyase, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid | Authors: | Liu, W.Z, Lyu, Q.Q, Li, Z.J, Zhang, K.K. | Deposit date: | 2021-11-19 | Release date: | 2022-08-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Determination of oligosaccharide product distributions of PL7 alginate lyases by their structural elements. Commun Biol, 5, 2022
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7W13
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![BU of 7w13 by Molmil](/molmil-images/mine/7w13) | Complex structure of alginate lyase PyAly with M8 | Descriptor: | Alginate lyase, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid | Authors: | Liu, W.Z, Lyu, Q.Q, Li, Z.J, Zhang, K.K. | Deposit date: | 2021-11-19 | Release date: | 2022-08-17 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Determination of oligosaccharide product distributions of PL7 alginate lyases by their structural elements. Commun Biol, 5, 2022
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6BIC
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![BU of 6bic by Molmil](/molmil-images/mine/6bic) | 2.25 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | Descriptor: | (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate, 3C-like protease | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-11-01 | Release date: | 2018-11-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease. Proteins, 87, 2019
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6BIB
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![BU of 6bib by Molmil](/molmil-images/mine/6bib) | 1.95 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | Descriptor: | 3C-like protease, benzyl [(9S,12S,15S)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-11-01 | Release date: | 2018-11-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease. Proteins, 87, 2019
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7YG9
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![BU of 7yg9 by Molmil](/molmil-images/mine/7yg9) | Cryo-EM structure of Tetrahymena ribozyme conformation 1 undergoing the second-step self-splicing | Descriptor: | MAGNESIUM ION, RNA (391-MER), RNA (5'-R(*CP*CP*CP*UP*CP*U)-3'), ... | Authors: | Li, S, Michael, Z.P, Zhang, X, Greg, P, Zhang, K. | Deposit date: | 2022-07-11 | Release date: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Snapshots of the second-step self-splicing of Tetrahymena ribozyme revealed by cryo-EM. Nat Commun, 14, 2023
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7YGA
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![BU of 7yga by Molmil](/molmil-images/mine/7yga) | Cryo-EM structure of Tetrahymena ribozyme conformation 2 undergoing the second-step self-splicing | Descriptor: | MAGNESIUM ION, RNA (393-MER), RNA (5'-R(*CP*CP*CP*UP*CP*U)-3'), ... | Authors: | Li, S, Michael, Z.P, Zhang, X, Greg, P, Zhang, K. | Deposit date: | 2022-07-11 | Release date: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Snapshots of the second-step self-splicing of Tetrahymena ribozyme revealed by cryo-EM. Nat Commun, 14, 2023
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7YGB
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![BU of 7ygb by Molmil](/molmil-images/mine/7ygb) | Cryo-EM structure of Tetrahymena ribozyme conformation 3 undergoing the second-step self-splicing | Descriptor: | MAGNESIUM ION, RNA (393-MER), RNA (5'-R(*CP*CP*CP*UP*CP*UP*UP*AP*AP*CP*C)-3'), ... | Authors: | Li, S, Michael, Z.P, Zhang, X, Greg, P, Zhang, K. | Deposit date: | 2022-07-11 | Release date: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Snapshots of the second-step self-splicing of Tetrahymena ribozyme revealed by cryo-EM. Nat Commun, 14, 2023
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3UR9
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![BU of 3ur9 by Molmil](/molmil-images/mine/3ur9) | 1.65A resolution structure of Norwalk Virus Protease Containing a covalently bound dipeptidyl inhibitor | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like protease, CHLORIDE ION | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O. | Deposit date: | 2011-11-21 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses. J.Virol., 86, 2012
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6BID
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![BU of 6bid by Molmil](/molmil-images/mine/6bid) | 1.15 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | Descriptor: | 3C-like protease, benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-11-01 | Release date: | 2018-11-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease. Proteins, 87, 2019
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3OG7
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![BU of 3og7 by Molmil](/molmil-images/mine/3og7) | B-Raf Kinase V600E oncogenic mutant in complex with PLX4032 | Descriptor: | AKAP9-BRAF fusion protein, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide | Authors: | Zhang, Y, Zhang, K.Y, Zhang, C. | Deposit date: | 2010-08-16 | Release date: | 2010-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma. Nature, 467, 2010
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5CHB
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![BU of 5chb by Molmil](/molmil-images/mine/5chb) | Crystal structure of nvPizza2-S16H58 coordinating a CdCl2 nanocrystal | Descriptor: | CADMIUM ION, CHLORIDE ION, SULFATE ION, ... | Authors: | Voet, A.R.D, Noguchi, H, Addy, C, Zhang, K.Y.J, Tame, J.R.H. | Deposit date: | 2015-07-10 | Release date: | 2015-07-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Biomineralization of a Cadmium Chloride Nanocrystal by a Designed Symmetrical Protein Angew.Chem.Int.Ed.Engl., 54, 2015
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4Y9L
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![BU of 4y9l by Molmil](/molmil-images/mine/4y9l) | Crystal Structure of Caenorhabditis elegans ACDH-11 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Protein ACDH-11, isoform b | Authors: | Li, Z.J, Zhai, Y.J, Zhang, K, Sun, F. | Deposit date: | 2015-02-17 | Release date: | 2015-06-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Acyl-CoA Dehydrogenase Drives Heat Adaptation by Sequestering Fatty Acids Cell, 161, 2015
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7E3H
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![BU of 7e3h by Molmil](/molmil-images/mine/7e3h) | Crystal structure of human acetylcholinesterase in complex with donepezil | Descriptor: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J. | Deposit date: | 2021-02-08 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery Int.J.Biol.Macromol., 210, 2022
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7E3D
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![BU of 7e3d by Molmil](/molmil-images/mine/7e3d) | Crystal structure of human acetylcholinesterase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Acetylcholinesterase | Authors: | Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J. | Deposit date: | 2021-02-08 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery Int.J.Biol.Macromol., 210, 2022
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8IT0
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![BU of 8it0 by Molmil](/molmil-images/mine/8it0) | Cryo-EM structure of Crt-SPARTA-gRNA-tDNA dimer (conformation-2) | Descriptor: | DNA (45-mer), Piwi domain-containing protein, RNA (5'-R(P*UP*GP*AP*GP*GP*UP*AP*GP*UP*AP*GP*GP*UP*UP*GP*UP*AP*UP*AP*GP*U)-3'), ... | Authors: | Gao, X, Shang, K, Zhu, K, Wang, L, Mu, Z, Fu, X, Yu, X, Qin, B, Zhu, H, Ding, W, Cui, S. | Deposit date: | 2023-03-21 | Release date: | 2023-10-18 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Nucleic-acid-triggered NADase activation of a short prokaryotic Argonaute. Nature, 625, 2024
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8ISZ
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![BU of 8isz by Molmil](/molmil-images/mine/8isz) | Cryo-EM structure of Crt-SPARTA-gRNA-tDNA monomer | Descriptor: | DNA (45-mer), Piwi domain-containing protein, RNA (5'-R(P*UP*GP*AP*GP*GP*UP*AP*GP*UP*AP*GP*GP*UP*UP*GP*UP*AP*UP*AP*GP*U)-3'), ... | Authors: | Gao, X, Shang, K, Zhu, K, Wang, L, Mu, Z, Fu, X, Yu, X, Qin, B, Zhu, H, Ding, W, Cui, S. | Deposit date: | 2023-03-21 | Release date: | 2023-10-18 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Nucleic-acid-triggered NADase activation of a short prokaryotic Argonaute. Nature, 625, 2024
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8ISY
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![BU of 8isy by Molmil](/molmil-images/mine/8isy) | Cryo-EM structure of free-state Crt-SPARTA | Descriptor: | Piwi domain-containing protein, TIR domain-containing protein | Authors: | Gao, X, Shang, K, Zhu, K, Wang, L, Mu, Z, Fu, X, Yu, X, Qin, B, Zhu, H, Ding, W, Cui, S. | Deposit date: | 2023-03-21 | Release date: | 2023-10-18 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Nucleic-acid-triggered NADase activation of a short prokaryotic Argonaute. Nature, 625, 2024
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6G6P
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![BU of 6g6p by Molmil](/molmil-images/mine/6g6p) | Crystal structure of the computationally designed Ika8 protein: crystal packing No.2 in P63 | Descriptor: | Ika8 | Authors: | Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D. | Deposit date: | 2018-04-01 | Release date: | 2018-11-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational design of symmetrical eight-bladed beta-propeller proteins. IUCrJ, 6, 2019
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1Y2B
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![BU of 1y2b by Molmil](/molmil-images/mine/1y2b) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester | Descriptor: | 1,2-ETHANEDIOL, 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ... | Authors: | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-11-22 | Release date: | 2005-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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1Y2C
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![BU of 1y2c by Molmil](/molmil-images/mine/1y2c) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester | Descriptor: | 1,2-ETHANEDIOL, 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ... | Authors: | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-11-22 | Release date: | 2005-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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1Y2K
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![BU of 1y2k by Molmil](/molmil-images/mine/1y2k) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 3,5-dimethyl-1-(3-nitro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester | Descriptor: | 1,2-ETHANEDIOL, 3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ... | Authors: | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-11-22 | Release date: | 2005-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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8D0A
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![BU of 8d0a by Molmil](/molmil-images/mine/8d0a) | Crystal structure of human USP30 in complex with a covalent inhibitor 829 and a Fab | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, mouse anti-huUSP30 Fab heavy chain, ... | Authors: | Song, X, Butler, J, Li, C, Zhang, K, Zhang, D, Hao, Y. | Deposit date: | 2022-05-25 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | TBD To Be Published
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7COZ
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![BU of 7coz by Molmil](/molmil-images/mine/7coz) | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-41 | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide, Glutaminyl-peptide cyclotransferase, ... | Authors: | Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J. | Deposit date: | 2020-08-05 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors. Int.J.Biol.Macromol., 170, 2020
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7CP0
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![BU of 7cp0 by Molmil](/molmil-images/mine/7cp0) | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase | Descriptor: | 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ... | Authors: | Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J. | Deposit date: | 2020-08-05 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors. Int.J.Biol.Macromol., 170, 2020
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