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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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