7OB8
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7OBT
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7OBD
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7OB5
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7OBC
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7NVQ
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![BU of 7nvq by Molmil](/molmil-images/mine/7nvq) | Aerosol-soaked human cdk2 crystals with Staurosporine | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE | Authors: | Ross, B, Huber, R. | Deposit date: | 2021-03-15 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Aerosol-based ligand soaking of reservoir-free protein crystals. J.Appl.Crystallogr., 54, 2021
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5WRZ
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![BU of 5wrz by Molmil](/molmil-images/mine/5wrz) | Structure of human PARP1 catalytic domain bound to a phthalazinone inhibitor | Descriptor: | 7-fluoranyl-4-[[(3R)-pyrrolidin-3-yl]methoxy]-2H-phthalazin-1-one, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | Deposit date: | 2016-12-04 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a phthalazinone inhibitor To Be Published
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2V4O
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![BU of 2v4o by Molmil](/molmil-images/mine/2v4o) | Crystal structure of Salmonella typhimurium SurE at 2.75 angstrom resolution in monoclinic form | Descriptor: | GLYCEROL, MAGNESIUM ION, MULTIFUNCTIONAL PROTEIN SUR E, ... | Authors: | Anju, P, Savithri, H.S, Murthy, M.R.N. | Deposit date: | 2008-09-26 | Release date: | 2008-12-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural and Functional Studies on a Mesophilic Stationary Phase Survival Protein (Sur E) from Salmonella Typhimurium FEBS J., 275, 2008
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4FKI
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4FKT
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4FKQ
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![BU of 4fkq by Molmil](/molmil-images/mine/4fkq) | Crystal structure of the cdk2 in complex with oxindole inhibitor | Descriptor: | 4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide, Cyclin-dependent kinase 2, GLYCEROL | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
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3DUH
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![BU of 3duh by Molmil](/molmil-images/mine/3duh) | Structure of Interleukin-23 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha | Authors: | Lupardus, P.J, Garcia, K.C. | Deposit date: | 2008-07-17 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of interleukin-23 reveals the molecular basis of p40 subunit sharing with interleukin-12. J.Mol.Biol., 382, 2008
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5WS0
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![BU of 5ws0 by Molmil](/molmil-images/mine/5ws0) | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor | Descriptor: | 2-piperazin-1-ylcarbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | Deposit date: | 2016-12-04 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor To Be Published
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5WRQ
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![BU of 5wrq by Molmil](/molmil-images/mine/5wrq) | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | Descriptor: | 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | Deposit date: | 2016-12-03 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor To Be Published
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4FKG
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4FKU
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4FKS
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![BU of 4fks by Molmil](/molmil-images/mine/4fks) | Crystal structure of the cdk2 in complex with oxindole inhibitor | Descriptor: | Cyclin-dependent kinase 2, N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
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5WS1
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![BU of 5ws1 by Molmil](/molmil-images/mine/5ws1) | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor | Descriptor: | 2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | Deposit date: | 2016-12-04 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor To Be Published
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4B23
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![BU of 4b23 by Molmil](/molmil-images/mine/4b23) | Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2 | Descriptor: | 5'-D(*CP*GP*AP*TP*TP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*(3DR)P*AP*AP*TP*CP*GP)-3', MAG2, ... | Authors: | Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M. | Deposit date: | 2012-07-12 | Release date: | 2013-01-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2. Structure, 21, 2013
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5WRY
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![BU of 5wry by Molmil](/molmil-images/mine/5wry) | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | Descriptor: | N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)methyl]-2-fluorobenzamide, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | Deposit date: | 2016-12-04 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor To Be Published
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7D1M
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![BU of 7d1m by Molmil](/molmil-images/mine/7d1m) | CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fu, L.F, Gilski, M, Shabalin, I, Gao, G.F, Qi, J.X. | Deposit date: | 2020-09-14 | Release date: | 2020-10-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease. Nat Commun, 11, 2020
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2V4N
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![BU of 2v4n by Molmil](/molmil-images/mine/2v4n) | Crystal structure of Salmonella typhimurium SurE at 1.7 angstrom resolution in orthorhombic form | Descriptor: | GLYCEROL, MAGNESIUM ION, MULTIFUNCTIONAL PROTEIN SUR E, ... | Authors: | Anju, P, Savithri, H.S, Murthy, M.R.N. | Deposit date: | 2008-09-26 | Release date: | 2008-12-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Studies on a Mesophilic Stationary Phase Survival Protein (Sur E) from Salmonella Typhimurium FEBS J., 275, 2008
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7QZJ
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7MK2
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![BU of 7mk2 by Molmil](/molmil-images/mine/7mk2) | CryoEM Structure of NPR1 | Descriptor: | Regulatory protein NPR1, ZINC ION | Authors: | Kumar, S, Zhou, Y, Dillard, L, Borgnia, M, Bartesaghi, A, Zhou, P. | Deposit date: | 2021-04-21 | Release date: | 2022-03-16 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of NPR1 in activating plant immunity. Nature, 605, 2022
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7NR4
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![BU of 7nr4 by Molmil](/molmil-images/mine/7nr4) | X-RAY STRUCTURE OF PRMT6 IN COMPLEX WITH indazole type inhibitor | Descriptor: | (2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Steuber, H. | Deposit date: | 2021-03-02 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Rational Design and Synthesis of Selective PRMT4 Inhibitors: A New Chemotype for Development of Cancer Therapeutics*. Chemmedchem, 16, 2021
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