7X7T
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![BU of 7x7t by Molmil](/molmil-images/mine/7x7t) | Cryo-EM structure of SARS-CoV-2 spike protein in complex with three nAbs X01, X10 and X17 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ... | Authors: | Sun, H, Liu, L, Zheng, Q, Li, S, Zhang, T, Xia, N. | Deposit date: | 2022-03-10 | Release date: | 2022-08-17 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7X7U
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![BU of 7x7u by Molmil](/molmil-images/mine/7x7u) | Cryo-EM structure of SARS-CoV-2 Delta variant spike protein in complex with three nAbs X01, X10 and X17 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ... | Authors: | Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2022-03-10 | Release date: | 2022-08-17 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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6KYC
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![BU of 6kyc by Molmil](/molmil-images/mine/6kyc) | Structure of the S207A mutant of Clostridium difficile sortase B | Descriptor: | Putative peptidase C60B, sortase B | Authors: | Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y. | Deposit date: | 2019-09-17 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity. J.Biol.Chem., 295, 2020
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4MTE
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![BU of 4mte by Molmil](/molmil-images/mine/4mte) | |
4MTD
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![BU of 4mtd by Molmil](/molmil-images/mine/4mtd) | |
4N3Y
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![BU of 4n3y by Molmil](/molmil-images/mine/4n3y) | |
4NK4
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![BU of 4nk4 by Molmil](/molmil-images/mine/4nk4) | |
6KYD
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![BU of 6kyd by Molmil](/molmil-images/mine/6kyd) | Structure of the R217A mutant of Clostridium difficile sortase B | Descriptor: | Putative peptidase C60B, sortase B | Authors: | Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y. | Deposit date: | 2019-09-18 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity. J.Biol.Chem., 295, 2020
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4NK5
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![BU of 4nk5 by Molmil](/molmil-images/mine/4nk5) | |
3SPF
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![BU of 3spf by Molmil](/molmil-images/mine/3spf) | Crystal Structure of Bcl-xL bound to BM501 | Descriptor: | 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2011-07-01 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold. J.Med.Chem., 55, 2012
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2M0Q
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![BU of 2m0q by Molmil](/molmil-images/mine/2m0q) | Solution NMR analysis of intact KCNE2 in detergent micelles demonstrate a straight transmembrane helix | Descriptor: | Potassium voltage-gated channel subfamily E member 2 | Authors: | Lai, C, Li, P, Chen, L, Zhang, L, Wu, F, Tian, C. | Deposit date: | 2012-11-01 | Release date: | 2014-04-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Differential modulations of KCNQ1 by auxiliary proteins KCNE1 and KCNE2. Sci Rep, 4, 2014
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6VGL
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![BU of 6vgl by Molmil](/molmil-images/mine/6vgl) | JAK2 JH1 in complex with ruxolitinib | Descriptor: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-08 | Release date: | 2021-01-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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3T93
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5GIM
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![BU of 5gim by Molmil](/molmil-images/mine/5gim) | Crystal structure of thrombin-avathrin complex | Descriptor: | C-terminal peptide from Putative uncharacterized protein avahiru, N-terminal peptide from Putative uncharacterized protein avahiru, Thrombin light chain, ... | Authors: | Kini, R.M, Koh, C.Y, Iyer, J.K, Swaminathan, K. | Deposit date: | 2016-06-24 | Release date: | 2017-05-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Avathrin: a novel thrombin inhibitor derived from a multicopy precursor in the salivary glands of the ixodid tick, Amblyomma variegatum. FASEB J., 31, 2017
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2NA7
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6VNB
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![BU of 6vnb by Molmil](/molmil-images/mine/6vnb) | JAK2 JH1 in complex with BL2-084 | Descriptor: | (3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNE
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![BU of 6vne by Molmil](/molmil-images/mine/6vne) | JAK2 JH1 in complex with Fedratinib | Descriptor: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNC
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![BU of 6vnc by Molmil](/molmil-images/mine/6vnc) | JAK2 JH1 in complex with BL2-096 | Descriptor: | (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNG
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![BU of 6vng by Molmil](/molmil-images/mine/6vng) | JAK2 JH1 in complex with PN2-118 | Descriptor: | N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNH
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![BU of 6vnh by Molmil](/molmil-images/mine/6vnh) | JAK2 JH1 in complex with PN2-123 | Descriptor: | N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNF
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![BU of 6vnf by Molmil](/molmil-images/mine/6vnf) | JAK2 JH1 in complex with MA9-086 | Descriptor: | N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VN8
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![BU of 6vn8 by Molmil](/molmil-images/mine/6vn8) | JAK2 JH1 in complex with baricitinib | Descriptor: | Baricitinib, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNJ
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![BU of 6vnj by Molmil](/molmil-images/mine/6vnj) | JAK2 JH1 in complex with PN4-014 | Descriptor: | 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNM
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![BU of 6vnm by Molmil](/molmil-images/mine/6vnm) | JAK2 JH1 in complex with SY5-103 | Descriptor: | 4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNI
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![BU of 6vni by Molmil](/molmil-images/mine/6vni) | JAK2 JH1 in complex with PN3-115 | Descriptor: | 2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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