8P78
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![BU of 8p78 by Molmil](/molmil-images/mine/8p78) | Cryo-EM structure of CAK in complex with inhibitor dinaciclib | Descriptor: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | Deposit date: | 2023-05-30 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8OTK
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![BU of 8otk by Molmil](/molmil-images/mine/8otk) | Structure of ClpC Q11P N-terminal Domain | Descriptor: | ATP-dependent Clp protease ATP-binding subunit ClpC / Negative regulator of tic competence clcC/mecB, CARBONATE ION, GLYCEROL, ... | Authors: | Evans, N.J, Isaacson, R.L, Camp, A.H. | Deposit date: | 2023-04-21 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | A novel ClpC-ClpP adaptor protein that functions in the developing Bacillus subtilis spore To Be Published
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8P87
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![BU of 8p87 by Molmil](/molmil-images/mine/8p87) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM X77, from an "old" crystal. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-31 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P79
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![BU of 8p79 by Molmil](/molmil-images/mine/8p79) | Cryo-EM structure of CAK with averaged inhibitor density | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7 | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | Deposit date: | 2023-05-30 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (1.7 Å) | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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8OUB
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![BU of 8oub by Molmil](/molmil-images/mine/8oub) | |
8OTP
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![BU of 8otp by Molmil](/molmil-images/mine/8otp) | |
8P56
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![BU of 8p56 by Molmil](/molmil-images/mine/8p56) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar X77. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8OSZ
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![BU of 8osz by Molmil](/molmil-images/mine/8osz) | Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | 3-aminophenol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2023-04-20 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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8OTV
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![BU of 8otv by Molmil](/molmil-images/mine/8otv) | Crystal structure of NUDT14 complexed with novel compound | Descriptor: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Balikci, E, Feyerherm, C, Bradshaw, W, Seupel, R, Brennan, P.E, Bountra, C, von Delft, F, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist. J.Med.Chem., 67, 2024
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8P5C
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![BU of 8p5c by Molmil](/molmil-images/mine/8p5c) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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5I78
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![BU of 5i78 by Molmil](/molmil-images/mine/5i78) | Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ... | Authors: | Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
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8OSV
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![BU of 8osv by Molmil](/molmil-images/mine/8osv) | Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2023-04-20 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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8OUN
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![BU of 8oun by Molmil](/molmil-images/mine/8oun) | Arf GTPase from the asgard Gerdarchaea : GerdArfR1 bound to GDP | Descriptor: | GTP-binding protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Menetrey, J, Jackson, C, Dacks, J.B, Elias, M, Vargova, R. | Deposit date: | 2023-04-24 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Arf Family GTPases are present in Asgard archaea To Be Published
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8OUH
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![BU of 8ouh by Molmil](/molmil-images/mine/8ouh) | Complex of human ASCT2 with Syncytin-1 | Descriptor: | ALANINE, Neutral amino acid transporter B(0), Syncytin-1 | Authors: | Khare, S, Reyes, N. | Deposit date: | 2023-04-23 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Receptor-recognition and antiviral mechanisms of retrovirus-derived human proteins. Nat.Struct.Mol.Biol., 2024
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8P54
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![BU of 8p54 by Molmil](/molmil-images/mine/8p54) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar MG-132. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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7PYQ
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![BU of 7pyq by Molmil](/molmil-images/mine/7pyq) | Structure of an LPMO (expressed in E.coli) at 6.35x10^6 Gy | Descriptor: | ACETATE ION, Auxiliary activity 9, COPPER (II) ION, ... | Authors: | Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2021-10-10 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj, 9, 2022
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8OUK
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![BU of 8ouk by Molmil](/molmil-images/mine/8ouk) | Arf GTPase from the asgard Hodarchaea : HodArfR1 bound to GTP | Descriptor: | Arf GTPase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Menetrey, J, Jackson, C, Dacks, J, Elias, M, Vargova, R. | Deposit date: | 2023-04-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Arf Family GTPases are present in Asgard archaea To Be Published
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8P5B
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![BU of 8p5b by Molmil](/molmil-images/mine/8p5b) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8OVF
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![BU of 8ovf by Molmil](/molmil-images/mine/8ovf) | Human Mitochondrial Lon Y186F Mutant ADP Bound | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | Deposit date: | 2023-04-26 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7.23 Å) | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions. Sci Rep, 14, 2024
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8OSO
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![BU of 8oso by Molmil](/molmil-images/mine/8oso) | GTPase HRAS in complex with Zn-cyclen under 500 MPa pressure | Descriptor: | 1,4,7,10-tetraazacyclododecane, GTPase HRas, MAGNESIUM ION, ... | Authors: | Colloc'h, N, Prange, T, Girard, E, Kalbitzer, H.R. | Deposit date: | 2023-04-19 | Release date: | 2024-05-08 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras. Chemistry, 30, 2024
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8OSM
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![BU of 8osm by Molmil](/molmil-images/mine/8osm) | GTPASE HRAS IN COMPLEX WITH ZN-CYCLEN AT 200 MPA PRESSURE | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Colloc'h, N, Girard, E, Prange, T, Kalbitzer, H.R. | Deposit date: | 2023-04-19 | Release date: | 2024-05-08 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras. Chemistry, 30, 2024
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8OSN
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![BU of 8osn by Molmil](/molmil-images/mine/8osn) | GTPASE HRAS IN COMPLEX WITH ZN-CYCLEN AT AMBIENT PRESSURE | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Colloc'h, N, Prange, T, Girard, E, Kalbitzer, H.R. | Deposit date: | 2023-04-19 | Release date: | 2024-05-08 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras. Chemistry, 30, 2024
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1AR8
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![BU of 1ar8 by Molmil](/molmil-images/mine/1ar8) | P1/MAHONEY POLIOVIRUS, MUTANT P1095S | Descriptor: | MYRISTIC ACID, P1/MAHONEY POLIOVIRUS, SPHINGOSINE | Authors: | Wien, M.W, Curry, S, Filman, D.J, Hogle, J.M. | Deposit date: | 1997-08-11 | Release date: | 1997-12-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural studies of poliovirus mutants that overcome receptor defects. Nat.Struct.Biol., 4, 1997
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8P1U
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![BU of 8p1u by Molmil](/molmil-images/mine/8p1u) | Structure of divisome complex FtsWIQLB | Descriptor: | Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ, ... | Authors: | Yang, L, Chang, S, Tang, D, Dong, H. | Deposit date: | 2023-05-12 | Release date: | 2024-05-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insights into the activation of the divisome complex FtsWIQLB. Cell Discov, 10, 2024
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7PYP
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![BU of 7pyp by Molmil](/molmil-images/mine/7pyp) | Structure of an LPMO (expressed in E.coli) at 2.13x10^6 Gy | Descriptor: | ACETATE ION, Auxiliary activity 9, COPPER (II) ION, ... | Authors: | Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2021-10-10 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj, 9, 2022
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