5UY8
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![BU of 5uy8 by Molmil](/molmil-images/mine/5uy8) | Crystal structure of AICARFT bound to an antifolate | Descriptor: | 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ... | Authors: | Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D. | Deposit date: | 2017-02-23 | Release date: | 2018-01-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model. J. Med. Chem., 60, 2017
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5UZ0
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![BU of 5uz0 by Molmil](/molmil-images/mine/5uz0) | Crystal structure of AICARFT bound to an antifolate | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, MAGNESIUM ION, ... | Authors: | Atwell, S, Wang, Y, Fales, K.R, Clawson, D, Wang, J. | Deposit date: | 2017-02-24 | Release date: | 2018-01-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model. J. Med. Chem., 60, 2017
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2R9M
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![BU of 2r9m by Molmil](/molmil-images/mine/2r9m) | Cathepsin S complexed with Compound 15 | Descriptor: | Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | Deposit date: | 2007-09-13 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation To be Published
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2R9O
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![BU of 2r9o by Molmil](/molmil-images/mine/2r9o) | Cathepsin S complexed with Compound 8 | Descriptor: | Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | Deposit date: | 2007-09-13 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation to be published
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5GJA
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![BU of 5gja by Molmil](/molmil-images/mine/5gja) | Crystal structure of Arabidopsis thaliana ACO2 in complex with 2-PA | Descriptor: | 1-aminocyclopropane-1-carboxylate oxidase 2, PYRIDINE-2-CARBOXYLIC ACID, ZINC ION | Authors: | Sun, X.Z, Li, Y.X, He, W.R, Ji, C.G, Xia, P.X, Wang, Y.C, Du, S, Li, H.J, Raikhel, N, Xiao, J.Y, Guo, H.W. | Deposit date: | 2016-06-28 | Release date: | 2017-05-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyrazinamide and derivatives block ethylene biosynthesis by inhibiting ACC oxidase. Nat Commun, 8, 2017
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7F6V
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![BU of 7f6v by Molmil](/molmil-images/mine/7f6v) | Cryo-EM structure of the human TACAN channel in a closed state | Descriptor: | CHOLESTEROL, Ion channel TACAN | Authors: | Chen, X.Z, Wang, Y.J, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2021-06-25 | Release date: | 2022-02-16 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Cryo-EM structure of the human TACAN in a closed state. Cell Rep, 38, 2022
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1MRI
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![BU of 1mri by Molmil](/molmil-images/mine/1mri) | STUDIES ON CRYSTAL STRUCTURES ACTIVE CENTER GEOMETRY AND DEPURINE MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS | Descriptor: | ALPHA-MOMORCHARIN | Authors: | Huang, Q, Liu, S, Tang, Y, Jin, S, Wang, Y. | Deposit date: | 1994-07-01 | Release date: | 1995-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Studies on crystal structures, active-centre geometry and depurinating mechanism of two ribosome-inactivating proteins. Biochem.J., 309, 1995
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4N41
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![BU of 4n41 by Molmil](/molmil-images/mine/4n41) | Structure of Thermus thermophilus Argonaute bound to guide DNA and 15-mer target DNA | Descriptor: | 5'-D(*AP*AP*CP*CP*TP*AP*CP*TP*GP*CP*CP*TP*CP*G)-3', 5'-D(P*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*T*GP*TP*AP*TP*AP*GP*T)-3', ... | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | Deposit date: | 2013-10-08 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage. Proc.Natl.Acad.Sci.USA, 111, 2014
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4XKL
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![BU of 4xkl by Molmil](/molmil-images/mine/4xkl) | Crystal structure of NDP52 ZF2 in complex with mono-ubiquitin | Descriptor: | ACETATE ION, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ... | Authors: | Xie, X, Li, F, Wang, Y, Lin, Z, Chen, X, Liu, J, Pan, L. | Deposit date: | 2015-01-12 | Release date: | 2015-11-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2 Autophagy, 11, 2015
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7KD1
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![BU of 7kd1 by Molmil](/molmil-images/mine/7kd1) | |
6AVS
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![BU of 6avs by Molmil](/molmil-images/mine/6avs) | Complex structure of JMJD5 and Symmetric Monomethyl-Arginine (MMA) | Descriptor: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, Lysine-specific demethylase 8, ZINC ION | Authors: | Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G. | Deposit date: | 2017-09-04 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7. Sci Rep, 8, 2018
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5XSM
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![BU of 5xsm by Molmil](/molmil-images/mine/5xsm) | Crystal Structure of Transketolase in complex with TPP intermediate IV from Pichia Stipitis | Descriptor: | 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-14 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XSA
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![BU of 5xsa by Molmil](/molmil-images/mine/5xsa) | Crystal Structure of Transketolase in complex with TPP intermediate III from Pichia Stipitis | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, Transketolase | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-13 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.975 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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6JE9
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![BU of 6je9 by Molmil](/molmil-images/mine/6je9) | Crystal structure of Nme1Cas9-sgRNA dimer mediated by double protein inhibitor AcrIIC3 monomers | Descriptor: | AcrIIC3, CRISPR-associated endonuclease Cas9, sgRNA | Authors: | Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y. | Deposit date: | 2019-02-04 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States. Mol.Cell, 76, 2019
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5XTV
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![BU of 5xtv by Molmil](/molmil-images/mine/5xtv) | Crystal Structure of Transketolase in complex with TPP intermediate V from Pichia Stipitis | Descriptor: | 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-21 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.931 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XVT
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![BU of 5xvt by Molmil](/molmil-images/mine/5xvt) | Crystal Structure of Transketolase in complex with hydroxylated TPP from Pichia Stipitis, crystal 2 | Descriptor: | 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-28 | Release date: | 2018-04-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5EZK
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![BU of 5ezk by Molmil](/molmil-images/mine/5ezk) | RNA polymerase model placed by Molecular replacement into X-ray diffraction map of DNA-bound RNA Polymerase-Sigma 54 holoenzyme complex. | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Darbari, V.C, Yang, Y, Lu, D, Zhang, N, Glyde, R, Wang, Y, Murakami, K.S, Buck, M, Zhang, X. | Deposit date: | 2015-11-26 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (8.5 Å) | Cite: | TRANSCRIPTION. Structures of the RNA polymerase- Sigma 54 reveal new and conserved regulatory strategies. Science, 349, 2015
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6AX3
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![BU of 6ax3 by Molmil](/molmil-images/mine/6ax3) | Complex structure of JMJD5 and Symmetric Dimethyl-Arginine (SDMA) | Descriptor: | 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, N3, ... | Authors: | Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G. | Deposit date: | 2017-09-06 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7. Sci Rep, 8, 2018
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5XUF
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![BU of 5xuf by Molmil](/molmil-images/mine/5xuf) | Crystal Structure of Transketolase in complex with hydroxylated TPP from Pichia Stipitis, crystal I | Descriptor: | 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-23 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.88 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XSB
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![BU of 5xsb by Molmil](/molmil-images/mine/5xsb) | Crystal Structure of Transketolase in complex with TPP intermediate III from Pichia Stipitis | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, Transketolase | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-13 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.918 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XS6
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![BU of 5xs6 by Molmil](/molmil-images/mine/5xs6) | Crystal Structure of Transketolase in complex with TPP Pichia Stipitis | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, THIAMINE DIPHOSPHATE, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-12 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.972 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XTL
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![BU of 5xtl by Molmil](/molmil-images/mine/5xtl) | Crystal Structure of Transketolase in complex with aminopyrimidine and cysteine sulfonic acid adduct from Pichia Stipitis | Descriptor: | 2-methylpyrimidin-4-amine, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-20 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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7EBO
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![BU of 7ebo by Molmil](/molmil-images/mine/7ebo) | |
6JDQ
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![BU of 6jdq by Molmil](/molmil-images/mine/6jdq) | Crystal structure of Nme1Cas9 in complex with sgRNA | Descriptor: | CRISPR-associated endonuclease Cas9, sgRNA | Authors: | Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y. | Deposit date: | 2019-02-02 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States. Mol.Cell, 76, 2019
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6JFU
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![BU of 6jfu by Molmil](/molmil-images/mine/6jfu) | Crystal structure of Nme2Cas9 in complex with sgRNA and target DNA (AGGCCC PAM) | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, non-target strand, ... | Authors: | Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y. | Deposit date: | 2019-02-12 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States. Mol.Cell, 76, 2019
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