6M03
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![BU of 6m03 by Molmil](/molmil-images/mine/6m03) | The crystal structure of COVID-19 main protease in apo form | Descriptor: | 3C-like proteinase | Authors: | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Rao, Z. | Deposit date: | 2020-02-19 | Release date: | 2020-03-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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6M49
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![BU of 6m49 by Molmil](/molmil-images/mine/6m49) | cryo-EM structure of Scap/Insig complex in the present of 25-hydroxyl cholesterol. | Descriptor: | 25-HYDROXYCHOLESTEROL, Insulin-induced gene 2 protein, Sterol regulatory element-binding protein cleavage-activating protein,Sterol regulatory element-binding protein cleavage-activating protein | Authors: | Yan, R, Cao, P, Song, W, Qian, H, Du, X, Coates, H.W, Zhao, X, Li, Y, Gao, S, Gong, X, Liu, X, Sui, J, Lei, J, Yang, H, Brown, A.J, Zhou, Q, Yan, C, Yan, N. | Deposit date: | 2020-03-06 | Release date: | 2021-01-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A structure of human Scap bound to Insig-2 suggests how their interaction is regulated by sterols. Science, 371, 2021
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7YOQ
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![BU of 7yoq by Molmil](/molmil-images/mine/7yoq) | Recj2 and CMP complex from Methanocaldococcus jannaschii | Descriptor: | [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate, nuclease RecJ2 | Authors: | Wang, W.W, Liu, X.P. | Deposit date: | 2022-08-02 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.265 Å) | Cite: | The structure of nuclease RecJ2 from Methanocaldococcus jannaschii To Be Published
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7YOS
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![BU of 7yos by Molmil](/molmil-images/mine/7yos) | |
6A9Y
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![BU of 6a9y by Molmil](/molmil-images/mine/6a9y) | The crystal structure of Mu homology domain of SGIP1 | Descriptor: | SH3-containing GRB2-like protein 3-interacting protein 1 | Authors: | Feng, Y, Liu, X. | Deposit date: | 2018-07-16 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | SGIP1 dimerizes via intermolecular disulfide bond in mu HD domain during cellular endocytosis. Biochem. Biophys. Res. Commun., 505, 2018
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7FAY
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![BU of 7fay by Molmil](/molmil-images/mine/7fay) | Crystal structure of SARS-CoV-2 main protease in complex with (R)-1a | Descriptor: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide, 3C-like proteinase | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | Deposit date: | 2021-07-08 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron. Nat Microbiol, 7, 2022
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7FAZ
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![BU of 7faz by Molmil](/molmil-images/mine/7faz) | Crystal structure of the SARS-CoV-2 main protease in complex with Y180 | Descriptor: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide, 3C-like proteinase, SODIUM ION | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | Deposit date: | 2021-07-08 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron. Nat Microbiol, 7, 2022
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6A9W
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![BU of 6a9w by Molmil](/molmil-images/mine/6a9w) | Structure of the bifunctional DNA primase-polymerase from phage NrS-1 | Descriptor: | Primase | Authors: | Guo, H.J, Li, M.J, Wang, T.L, Wu, H, Zhou, H, Xu, C.Y, Liu, X.P, Yu, F, He, J.H. | Deposit date: | 2018-07-16 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure and biochemical studies of the bifunctional DNA primase-polymerase from phage NrS-1. Biochem. Biophys. Res. Commun., 510, 2019
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6CAD
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![BU of 6cad by Molmil](/molmil-images/mine/6cad) | Crystal structure of RAF kinase domain bound to the inhibitor 2a | Descriptor: | 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase B-raf | Authors: | Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Liu, X, Chen, Y.-C, Prakash, G.K.S, Zhang, C, SIcheri, F. | Deposit date: | 2018-01-30 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Effects of rigidity on the selectivity of protein kinase inhibitors. Eur J Med Chem, 146, 2018
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7BTS
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![BU of 7bts by Molmil](/molmil-images/mine/7bts) | Structure of human beta1 adrenergic receptor bound to epinephrine and nanobody 6B9 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-02 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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5Y3U
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![BU of 5y3u by Molmil](/molmil-images/mine/5y3u) | NMR-Based Model of the 22 Amino Acid Peptide in Polysialyltransferase Domain (PSTD) of the Polysialyltransferase ST8Sia IV in the Presence of Polysialic Acid (PolySia) | Descriptor: | PSTD-22AA-PolySia | Authors: | Liao, S.M, Liu, X.H, Lu, B, Peng, L.X, Chen, D, Huang, R.B, Zhou, G.P. | Deposit date: | 2017-07-31 | Release date: | 2017-11-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR-Based Model of the 22 Amino Acid Peptide in Polysialyltransferase Domain (PSTD) of the Polysialyltransferase ST8Sia IV in the Presence of Polysialic Acid (PolySia) To Be Published
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7BVQ
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![BU of 7bvq by Molmil](/molmil-images/mine/7bvq) | Structure of human beta1 adrenergic receptor bound to carazolol | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, CHOLESTEROL, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-11 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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7BU6
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![BU of 7bu6 by Molmil](/molmil-images/mine/7bu6) | Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9 | Descriptor: | (2S)-2,3-dihydroxypropyl octanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-04 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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7CX9
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![BU of 7cx9 by Molmil](/molmil-images/mine/7cx9) | Crystal structure of the SARS-CoV-2 main protease in complex with INZ-1 | Descriptor: | 3-iodanyl-1~{H}-indazole-7-carbaldehyde, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Zeng, R, Liu, X.L, Qiao, J.X, Nan, J.S, Wang, Y.F, Li, Y.S, Yang, S.Y, Lei, J. | Deposit date: | 2020-09-01 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of the SARS-CoV-2 main protease in complex with INZ-1 To Be Published
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7XKA
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![BU of 7xka by Molmil](/molmil-images/mine/7xka) | Structure of human beta2 adrenergic receptor bound to constrained epinephrine | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
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7BV5
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![BU of 7bv5 by Molmil](/molmil-images/mine/7bv5) | Crystal structure of the yeast heterodimeric ADAT2/3 | Descriptor: | ZINC ION, tRNA-specific adenosine deaminase subunit TAD2, tRNA-specific adenosine deaminase subunit TAD3 | Authors: | Xie, W, Liu, X, Chen, R, Sun, Y, Chen, R, Zhou, J, Tian, Q. | Deposit date: | 2020-04-09 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the yeast heterodimeric ADAT2/3 deaminase. Bmc Biol., 18, 2020
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6C1H
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![BU of 6c1h by Molmil](/molmil-images/mine/6c1h) | High-Resolution Cryo-EM Structures of Actin-bound Myosin States Reveal the Mechanism of Myosin Force Sensing | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Mentes, A, Huehn, A, Liu, X, Zwolak, A, Dominguez, R, Shuman, H, Ostap, E.M, Sindelar, C.V. | Deposit date: | 2018-01-04 | Release date: | 2018-01-31 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | High-resolution cryo-EM structures of actin-bound myosin states reveal the mechanism of myosin force sensing. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7XK9
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![BU of 7xk9 by Molmil](/molmil-images/mine/7xk9) | Structure of human beta2 adrenergic receptor bound to constrained isoproterenol | Descriptor: | (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
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6C1G
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![BU of 6c1g by Molmil](/molmil-images/mine/6c1g) | High-Resolution Cryo-EM Structures of Actin-bound Myosin States Reveal the Mechanism of Myosin Force Sensing | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Mentes, A, Huehn, A, Liu, X, Zwolak, A, Dominguez, R, Shuman, H, Ostap, E.M, Sindelar, C.V. | Deposit date: | 2018-01-04 | Release date: | 2018-01-31 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | High-resolution cryo-EM structures of actin-bound myosin states reveal the mechanism of myosin force sensing. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6C1D
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![BU of 6c1d by Molmil](/molmil-images/mine/6c1d) | High-Resolution Cryo-EM Structures of Actin-bound Myosin States Reveal the Mechanism of Myosin Force Sensing | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Mentes, A, Huehn, A, Liu, X, Zwolak, A, Dominguez, R, Shuman, H, Ostap, E.M, Sindelar, C.V. | Deposit date: | 2018-01-04 | Release date: | 2018-01-31 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | High-resolution cryo-EM structures of actin-bound myosin states reveal the mechanism of myosin force sensing. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6KGT
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![BU of 6kgt by Molmil](/molmil-images/mine/6kgt) | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with faropenem | Descriptor: | (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-12 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.308 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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6KGH
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![BU of 6kgh by Molmil](/molmil-images/mine/6kgh) | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis (apo-form) | Descriptor: | COBALT (II) ION, Penicillin-binding protein PbpB, SODIUM ION | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-11 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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7XS7
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![BU of 7xs7 by Molmil](/molmil-images/mine/7xs7) | structure of a membrane-integrated glycosyltransferase | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, Chitin synthase 1, DODECANE, ... | Authors: | Wu, Y.N, Zhang, M, Yang, Y.Z, Ding, X.Y, Liu, X.T, Zhang, M.J, Yu, H.J. | Deposit date: | 2022-05-13 | Release date: | 2023-05-17 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | structure of a membrane-integrated glycosyltransferase with inhibitor To Be Published
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7XS6
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![BU of 7xs6 by Molmil](/molmil-images/mine/7xs6) | structure of a membrane-integrated glycosyltransferase with inhibitor | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name), Chitin synthase 1, ... | Authors: | Wu, Y.N, Zhang, M, Yang, Y.Z, Ding, X.Y, Liu, X.T, Zhang, M.J, Yu, H.J. | Deposit date: | 2022-05-12 | Release date: | 2023-05-17 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | structure of a membrane-integrated glycosyltransferase with inhibitor To Be Published
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6KGS
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![BU of 6kgs by Molmil](/molmil-images/mine/6kgs) | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with meropenem | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-12 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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