6WM3
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![BU of 6wm3 by Molmil](/molmil-images/mine/6wm3) | Human V-ATPase in state 2 with SidK and ADP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Renin receptor, ... | Authors: | Wang, L, Wu, H, Fu, T.M. | Deposit date: | 2020-04-20 | Release date: | 2020-11-11 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly. Mol.Cell, 80, 2020
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6WLH
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6YS3
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![BU of 6ys3 by Molmil](/molmil-images/mine/6ys3) | Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Schulte, L, Reitz, J, Kudlinzki, D, Hodirnau, V.V, Frangakis, A, Schwalbe, H. | Deposit date: | 2020-04-20 | Release date: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide Nat Commun, 2020
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6WM1
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6WM4
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![BU of 6wm4 by Molmil](/molmil-images/mine/6wm4) | Human V-ATPase in state 3 with SidK and ADP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Renin receptor, ... | Authors: | Wang, L, Wu, H, Fu, T.M. | Deposit date: | 2020-04-20 | Release date: | 2020-11-11 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly. Mol.Cell, 80, 2020
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6WLX
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6WLZ
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![BU of 6wlz by Molmil](/molmil-images/mine/6wlz) | The V1 region of human V-ATPase in state 1 (focused refinement) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SidK, V-type proton ATPase catalytic subunit A, ... | Authors: | Wang, L, Wu, H, Fu, T.M. | Deposit date: | 2020-04-20 | Release date: | 2020-11-11 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly. Mol.Cell, 80, 2020
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6WLY
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6WM2
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![BU of 6wm2 by Molmil](/molmil-images/mine/6wm2) | Human V-ATPase in state 1 with SidK and ADP | Descriptor: | (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, L, Wu, H, Fu, T.M. | Deposit date: | 2020-04-20 | Release date: | 2020-11-11 | Last modified: | 2020-11-25 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly. Mol.Cell, 80, 2020
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6YR8
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![BU of 6yr8 by Molmil](/molmil-images/mine/6yr8) | Affimer K6 - KRAS protein complex | Descriptor: | Affimer K6, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C. | Deposit date: | 2020-04-19 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site. Nat Commun, 12, 2021
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6YQV
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![BU of 6yqv by Molmil](/molmil-images/mine/6yqv) | Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloranylthiophene-2-sulfonamide, DIMETHYL SULFOXIDE, ... | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | Deposit date: | 2020-04-18 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94) To be published
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6YQJ
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![BU of 6yqj by Molmil](/molmil-images/mine/6yqj) | Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium (soaked) | Descriptor: | 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-04-17 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
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6YQK
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![BU of 6yqk by Molmil](/molmil-images/mine/6yqk) | Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a methylisoquinoline Fasudil-derivative (soaked) | Descriptor: | 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-04-17 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
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6YQI
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![BU of 6yqi by Molmil](/molmil-images/mine/6yqi) | Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with long-chain Fasudil-derivative N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide (soaked) | Descriptor: | cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-04-17 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
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6YPH
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![BU of 6yph by Molmil](/molmil-images/mine/6yph) | Crystal Structure of CK2alpha with Compound 2 bound | Descriptor: | 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2020-04-16 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha. J.Med.Chem., 63, 2020
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6YPN
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6YPS
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![BU of 6yps by Molmil](/molmil-images/mine/6yps) | Crystal structure of the cAMP-dependent protein kinase A in complex with 4-hydroxybenzamidine | Descriptor: | 4-oxidanylbenzenecarboximidamide, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | Deposit date: | 2020-04-16 | Release date: | 2020-12-09 | Last modified: | 2020-12-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
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6YPG
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6YPK
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![BU of 6ypk by Molmil](/molmil-images/mine/6ypk) | Crystal Structure of CK2alpha with GTP bound | Descriptor: | Casein kinase II subunit alpha, GUANOSINE-5'-DIPHOSPHATE | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2020-04-16 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha. J.Med.Chem., 63, 2020
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6YPJ
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![BU of 6ypj by Molmil](/molmil-images/mine/6ypj) | Crystal Structure of CK2alpha with Compound 1 bound | Descriptor: | 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2020-04-16 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha. J.Med.Chem., 63, 2020
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6YPP
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7BWT
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![BU of 7bwt by Molmil](/molmil-images/mine/7bwt) | SopD-Rab8 complex structure | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Jiang, K, Tong, M, Chen, Z, Gao, X. | Deposit date: | 2020-04-16 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Salmonella effector protein SopD targets Rab8 to positively and negatively modulate the inflammatory response. Nat Microbiol, 6, 2021
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6YOV
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![BU of 6yov by Molmil](/molmil-images/mine/6yov) | OCT4-SOX2-bound nucleosome - SHL+6 | Descriptor: | DNA (142-MER), Green fluorescent protein,POU domain, class 5, ... | Authors: | Michael, A.K, Kempf, G, Cavadini, S, Bunker, R.D, Thoma, N.H. | Deposit date: | 2020-04-15 | Release date: | 2020-05-06 | Last modified: | 2020-07-08 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Mechanisms of OCT4-SOX2 motif readout on nucleosomes. Science, 368, 2020
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6YP9
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![BU of 6yp9 by Molmil](/molmil-images/mine/6yp9) | Rabbit muscle actin in complex with ADF-H and ATP-ATTO-488 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Kogan, K, Kotila, T, Lappalainen, P. | Deposit date: | 2020-04-15 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.564 Å) | Cite: | A functional family of fluorescent nucleotide analogues to investigate actin dynamics and energetics. Nat Commun, 12, 2021
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6YOU
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![BU of 6you by Molmil](/molmil-images/mine/6you) | |