6TO2
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![BU of 6to2 by Molmil](/molmil-images/mine/6to2) | Crystal structure of CYP154C5 from Nocardia farcinica in complex with 5alpha-Androstan-3-one | Descriptor: | (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one, CHLORIDE ION, Cytochrome P450 monooxygenase, ... | Authors: | Rodriguez, A, Kluenemann, T, Blankenfeldt, W, Schallmey, A. | Deposit date: | 2019-12-11 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CYP154C5 Regioselectivity in Steroid Hydroxylation Explored by Substrate Modifications and Protein Engineering*. Chembiochem, 22, 2021
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8HMS
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![BU of 8hms by Molmil](/molmil-images/mine/8hms) | Crystal Structure of PKM2 mutant C474S | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ... | Authors: | Upadhyay, S, Kumar, A, Patel, A.K. | Deposit date: | 2022-12-05 | Release date: | 2023-01-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published
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8HMQ
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![BU of 8hmq by Molmil](/molmil-images/mine/8hmq) | Crystal Structure of PKM2 mutant P403A | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ... | Authors: | Upadhyay, S, Kumar, A, Patel, A.K. | Deposit date: | 2022-12-05 | Release date: | 2023-01-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published
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3ZC6
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![BU of 3zc6 by Molmil](/molmil-images/mine/3zc6) | Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, ... | Authors: | Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M. | Deposit date: | 2012-11-16 | Release date: | 2013-09-25 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Strategic Use of Conformational Bias and Structure Based Design to Identify Potent Jak3 Inhibitors with Improved Selectivity Against the Jak Family and the Kinome. Bioorg.Med.Chem.Lett., 23, 2013
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8HMR
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![BU of 8hmr by Molmil](/molmil-images/mine/8hmr) | Crystal Structure of PKM2 mutant L144P | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ... | Authors: | Upadhyay, S, Kumar, A, Patel, A.K. | Deposit date: | 2022-12-05 | Release date: | 2023-01-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published
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8HMU
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![BU of 8hmu by Molmil](/molmil-images/mine/8hmu) | Crystal Structure of PKM2 mutant R516C | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ... | Authors: | Upadhyay, S, Kumar, A, Patel, A.K. | Deposit date: | 2022-12-05 | Release date: | 2023-01-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published
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1OL1
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![BU of 1ol1 by Molmil](/molmil-images/mine/1ol1) | Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2 | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CIR-CIR-LEU-ILE-PFF-NH2, CYCLIN A2 | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | Deposit date: | 2003-08-04 | Release date: | 2003-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
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3X0W
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![BU of 3x0w by Molmil](/molmil-images/mine/3x0w) | Crystal structure of PLEKHM1 LIR-fused human LC3B_2-119 | Descriptor: | Microtubule-associated proteins 1A/1B light chain 3B | Authors: | Suzuki, H, McEwan, D.G, Popovic, D, Gubas, A, Terawaki, S, Stadel, D, Coxon, F, Stegmann, D.M, Bhogaraju, S, Maddi, K, Kirchhoff, A, Gatti, E, Helfrich, M.H, Behrends, C, Pierre, P, Dikic, I, Wakatsuki, S. | Deposit date: | 2014-10-22 | Release date: | 2015-01-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | PLEKHM1 regulates autophagosome-lysosome fusion through HOPS complex and LC3/GABARAP proteins. Mol.Cell, 57, 2015
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7BGS
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![BU of 7bgs by Molmil](/molmil-images/mine/7bgs) | Archeal holliday junction resolvase from Thermus thermophilus phage 15-6 | Descriptor: | Holliday junction resolvase, SULFATE ION | Authors: | Hakansson, M, Ahlqvist, J, Linares Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Al-Karadaghi, S. | Deposit date: | 2021-01-08 | Release date: | 2022-01-19 | Last modified: | 2022-02-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6. Acta Crystallogr D Struct Biol, 78, 2022
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7BNX
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![BU of 7bnx by Molmil](/molmil-images/mine/7bnx) | Archeal holliday junction resolvase from Thermus thermophilus phage 15-6 | Descriptor: | Holliday junction resolvase, SULFATE ION | Authors: | Hakansson, M, Ahlqvist, J, Linares Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Al-Karadaghi, S. | Deposit date: | 2021-01-22 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6. Acta Crystallogr D Struct Biol, 78, 2022
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7BET
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![BU of 7bet by Molmil](/molmil-images/mine/7bet) | Structure of Ribonucleotide reductase R2 from Escherichia coli collected by femtosecond serial crystallography on a COC membrane | Descriptor: | FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta | Authors: | Aurelius, O, John, J, Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Hogbom, M, Wang, M, Pedrini, B. | Deposit date: | 2020-12-24 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL To Be Published
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1OL2
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![BU of 1ol2 by Molmil](/molmil-images/mine/1ol2) | Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2 | Descriptor: | ARG-ARG-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | Deposit date: | 2003-08-05 | Release date: | 2003-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
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8HHZ
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![BU of 8hhz by Molmil](/molmil-images/mine/8hhz) | |
1OKW
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![BU of 1okw by Molmil](/molmil-images/mine/1okw) | Cyclin A binding groove inhibitor Ac-Arg-Arg-Leu-Asn-(m-Cl-Phe)-NH2 | Descriptor: | ACE-ARG-ARG-LEU-ASN-FCL-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | Deposit date: | 2003-07-31 | Release date: | 2003-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure, 11, 2003
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8HHY
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![BU of 8hhy by Molmil](/molmil-images/mine/8hhy) | SARS-CoV-2 Delta Spike in complex with IS-9A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, ... | Authors: | Mohapatra, A, Wu, Y.-M. | Deposit date: | 2022-11-17 | Release date: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2. Nat Commun, 14, 2023
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6TA3
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![BU of 6ta3 by Molmil](/molmil-images/mine/6ta3) | Human kinesin-5 motor domain in the GSK-1 state bound to microtubules (Conformation 1) | Descriptor: | 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one, Kinesin-like protein KIF11, MAGNESIUM ION, ... | Authors: | Pena, A, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M. | Deposit date: | 2019-10-29 | Release date: | 2020-04-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy. Structure, 28, 2020
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8HPK
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![BU of 8hpk by Molmil](/molmil-images/mine/8hpk) | Crystal structure of the bacterial oxalate transporter OxlT in an oxalate-bound occluded form | Descriptor: | Fab fragment Heavy chein, Fab fragment Light chain, OXALATE ION, ... | Authors: | Shimamura, T, Hirai, T, Yamashita, A. | Deposit date: | 2022-12-12 | Release date: | 2023-02-15 | Last modified: | 2023-04-12 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and mechanism of oxalate transporter OxlT in an oxalate-degrading bacterium in the gut microbiota. Nat Commun, 14, 2023
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8HPJ
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![BU of 8hpj by Molmil](/molmil-images/mine/8hpj) | |
3JW1
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![BU of 3jw1 by Molmil](/molmil-images/mine/3jw1) | Crystal Structure of Bovine Pancreatic Ribonuclease Complexed with Uridine-5'-monophosphate at 1.60 A Resolution | Descriptor: | Ribonuclease pancreatic, URIDINE-5'-MONOPHOSPHATE | Authors: | Larson, S.B, Day, J.S, Nguyen, C, Cudney, R, Mcpherson, A, Center for High-Throughput Structural Biology (CHTSB) | Deposit date: | 2009-09-17 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of bovine pancreatic ribonuclease complexed with uridine 5'-monophosphate at 1.60 A resolution. Acta Crystallogr.,Sect.F, 66, 2010
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4D7X
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![BU of 4d7x by Molmil](/molmil-images/mine/4d7x) | |
1Q06
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![BU of 1q06 by Molmil](/molmil-images/mine/1q06) | Crystal structure of the Ag(I) form of E. coli CueR, a copper efflux regulator | Descriptor: | SILVER ION, Transcriptional regulator cueR | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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1B11
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![BU of 1b11 by Molmil](/molmil-images/mine/1b11) | STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH TL-3-093 | Descriptor: | PROTEIN (Feline Immunodeficiency Virus PROTEASE), SULFATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | Authors: | Gustchina, A, Li, M, Wlodawer, A. | Deposit date: | 1998-11-25 | Release date: | 1998-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease Proteins, 38, 2000
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8SZ3
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![BU of 8sz3 by Molmil](/molmil-images/mine/8sz3) | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 7j | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]-3-[(2R)-3,3-dimethylbutan-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, ... | Authors: | Sudom, A, Min, X. | Deposit date: | 2023-05-26 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors. J.Med.Chem., 66, 2023
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2MWL
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![BU of 2mwl by Molmil](/molmil-images/mine/2mwl) | |
7BWO
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![BU of 7bwo by Molmil](/molmil-images/mine/7bwo) | Consensus chitin binding protein | Descriptor: | Chitin binding beak protein 3 | Authors: | Mohanram, H, Miserez, A. | Deposit date: | 2020-04-15 | Release date: | 2021-04-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of a consensus chitin-binding domain revealed by solution NMR. J.Struct.Biol., 213, 2021
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