4YXS
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![BU of 4yxs by Molmil](/molmil-images/mine/4yxs) | CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24 | Descriptor: | N-BENZYL-9H-PURIN-6-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Schiffer, A, Wendt, K.U. | Deposit date: | 2015-03-23 | Release date: | 2015-05-20 | Last modified: | 2015-06-03 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
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4YXR
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![BU of 4yxr by Molmil](/molmil-images/mine/4yxr) | CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor. | Descriptor: | 3-methyl-2H-indazole, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Schiffer, A, Wendt, K.U. | Deposit date: | 2015-03-23 | Release date: | 2015-05-27 | Last modified: | 2015-06-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
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3GKL
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![BU of 3gkl by Molmil](/molmil-images/mine/3gkl) | |
3GJN
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![BU of 3gjn by Molmil](/molmil-images/mine/3gjn) | |
2RCI
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![BU of 2rci by Molmil](/molmil-images/mine/2rci) | |
6OFT
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![BU of 6oft by Molmil](/molmil-images/mine/6oft) | |
6OFS
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![BU of 6ofs by Molmil](/molmil-images/mine/6ofs) | |
6OFR
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![BU of 6ofr by Molmil](/molmil-images/mine/6ofr) | |
6QD7
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![BU of 6qd7 by Molmil](/molmil-images/mine/6qd7) | EM structure of a EBOV-GP bound to 3T0331 neutralizing antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Envelope glycoprotein,Virion spike glycoprotein,EBOV-GP1, ... | Authors: | Diskin, R, Cohen-Dvashi, H. | Deposit date: | 2019-01-01 | Release date: | 2019-10-02 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Polyclonal and convergent antibody response to Ebola virus vaccine rVSV-ZEBOV. Nat. Med., 25, 2019
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6GJC
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![BU of 6gjc by Molmil](/molmil-images/mine/6gjc) | Structure of Mycobacterium tuberculosis Fatty Acid Synthase - I | Descriptor: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase | Authors: | Elad, N, Baron, S, Shakked, Z, Zimhony, O, Diskin, R. | Deposit date: | 2018-05-16 | Release date: | 2018-09-05 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of Type-I Mycobacterium tuberculosis fatty acid synthase at 3.3 angstrom resolution. Nat Commun, 9, 2018
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6HAM
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![BU of 6ham by Molmil](/molmil-images/mine/6ham) | Adenylate kinase | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | Authors: | Kantaev, R, Inbal, R, Goldenzweig, A, Barak, Y, Dym, O, Peleg, Y, Albek, S, Fleishman, S.J, Haran, G. | Deposit date: | 2018-08-08 | Release date: | 2019-08-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Manipulating the Folding Landscape of a Multidomain Protein. J.Phys.Chem.B, 122, 2018
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6HAP
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![BU of 6hap by Molmil](/molmil-images/mine/6hap) | Adenylate kinase | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | Authors: | Kantaev, R, Inbal, R, Goldenzweig, A, Barak, Y, Dym, O, Peleg, Y, Albek, S, Fleishman, S.J, Haran, G. | Deposit date: | 2018-08-08 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Manipulating the Folding Landscape of a Multidomain Protein. J.Phys.Chem.B, 122, 2018
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6V4V
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![BU of 6v4v by Molmil](/molmil-images/mine/6v4v) | |
1H2D
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![BU of 1h2d by Molmil](/molmil-images/mine/1h2d) | Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (Low-resolution VP40[31-212] variant). | Descriptor: | 5'-R(*UP*GP*AP)-3', CHLORIDE ION, MATRIX PROTEIN VP40 | Authors: | Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W. | Deposit date: | 2002-08-06 | Release date: | 2003-04-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties Structure, 11, 2003
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1H2C
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![BU of 1h2c by Molmil](/molmil-images/mine/1h2c) | Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (High-resolution VP40[55-194] variant). | Descriptor: | 5'-R(*UP*GP*AP)-3', MATRIX PROTEIN VP40 | Authors: | Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W. | Deposit date: | 2002-08-05 | Release date: | 2003-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties Structure, 11, 2003
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3NQ8
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![BU of 3nq8 by Molmil](/molmil-images/mine/3nq8) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R4 8/5A | Descriptor: | BENZAMIDINE, NITRATE ION, deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-29 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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3NPV
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![BU of 3npv by Molmil](/molmil-images/mine/3npv) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution | Descriptor: | deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-29 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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3NQ2
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![BU of 3nq2 by Molmil](/molmil-images/mine/3nq2) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R2 3/5G | Descriptor: | IMIDAZOLE, deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-29 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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3NR0
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![BU of 3nr0 by Molmil](/molmil-images/mine/3nr0) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R6 6/10A | Descriptor: | deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-30 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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3NPX
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![BU of 3npx by Molmil](/molmil-images/mine/3npx) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution | Descriptor: | deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-29 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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3NPU
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![BU of 3npu by Molmil](/molmil-images/mine/3npu) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution | Descriptor: | deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-29 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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3NPW
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![BU of 3npw by Molmil](/molmil-images/mine/3npw) | In silico designed of an improved Kemp eliminase KE70 mutant by computational design and directed evolution | Descriptor: | deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-29 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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3NQV
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![BU of 3nqv by Molmil](/molmil-images/mine/3nqv) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R5 7/4A | Descriptor: | BENZAMIDINE, deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-06-29 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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3D3M
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![BU of 3d3m by Molmil](/molmil-images/mine/3d3m) | |
6Y2G
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![BU of 6y2g by Molmil](/molmil-images/mine/6y2g) | Crystal structure (orthorhombic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b) | Descriptor: | 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | Zhang, L, Lin, D, Sun, X, Hilgenfeld, R. | Deposit date: | 2020-02-15 | Release date: | 2020-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors. Science, 368, 2020
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