8USJ
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4XAY
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![BU of 4xay by Molmil](/molmil-images/mine/4xay) | Cycles of destabilization and repair underlie evolutionary transitions in enzymes | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R8, ... | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | Deposit date: | 2014-12-16 | Release date: | 2015-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The role of protein dynamics in the evolution of new enzyme function. Nat.Chem.Biol., 12, 2016
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8USF
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7NOY
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![BU of 7noy by Molmil](/molmil-images/mine/7noy) | Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis in complex with substrate 1-hydroxyquinolin-4(1H)-one | Descriptor: | 1-oxidanylquinolin-4-one, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ... | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | Deposit date: | 2021-02-26 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis. J.Struct.Biol., 213, 2021
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8P64
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![BU of 8p64 by Molmil](/molmil-images/mine/8p64) | Co-crystal structure of PD-L1 with low molecular weight inhibitor | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine | Authors: | Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A. | Deposit date: | 2023-05-25 | Release date: | 2024-03-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.312 Å) | Cite: | 1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists. Rsc Med Chem, 15, 2024
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7NMK
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![BU of 7nmk by Molmil](/molmil-images/mine/7nmk) | Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound methylation product 1-methoxyquinolin-4(1H)-one | Descriptor: | 1-methoxy-4-oxoquinoline, 2-heptyl-1-hydroxyquinolin-4(1H)-one methyltransferase, FORMIC ACID, ... | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | Deposit date: | 2021-02-23 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.204 Å) | Cite: | Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis. J.Struct.Biol., 213, 2021
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4XBU
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![BU of 4xbu by Molmil](/molmil-images/mine/4xbu) | In vitro Crystal Structure of PAK4 in complex with Inka peptide | Descriptor: | Protein FAM212A, Serine/threonine-protein kinase PAK 4 | Authors: | Baskaran, Y, Ang, K.C, Anekal, P.V, Chan, W.L, Grimes, J.M, Manser, E, Robinson, R.C. | Deposit date: | 2014-12-17 | Release date: | 2015-12-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | An in cellulo-derived structure of PAK4 in complex with its inhibitor Inka1 Nat Commun, 6, 2015
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8UQN
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![BU of 8uqn by Molmil](/molmil-images/mine/8uqn) | PLCb3-Gaq complex on membranes | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Falzone, M.E, MacKinnon, R. | Deposit date: | 2023-10-24 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The mechanism of G alpha q regulation of PLC beta 3 -catalyzed PIP2 hydrolysis. Proc.Natl.Acad.Sci.USA, 120, 2023
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8UZK
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8P00
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![BU of 8p00 by Molmil](/molmil-images/mine/8p00) | Cryo-EM structure of Rotavirus B NSP2 | Descriptor: | Non-structural protein 2 | Authors: | Chamera, S, Nowotny, M. | Deposit date: | 2023-05-09 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structure of rotavirus B NSP2 reveals its unique tertiary architecture. J.Virol., 98, 2024
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7NDM
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![BU of 7ndm by Molmil](/molmil-images/mine/7ndm) | Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound substrate 4-hydroxyisoquinolin-1(2H)-one | Descriptor: | 4-oxidanyl-2~{H}-isoquinolin-1-one, Heterocyclic toxin methyltransferase (Rv0560c), MALONATE ION, ... | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | Deposit date: | 2021-02-02 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis. J.Struct.Biol., 213, 2021
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8USG
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8P3E
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![BU of 8p3e by Molmil](/molmil-images/mine/8p3e) | Crystal structure of glucocerebrosidase in complex with allosteric activator | Descriptor: | 2-[[3-[(4-chlorophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Schulze, M.-S. | Deposit date: | 2023-05-17 | Release date: | 2024-03-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of ss-Glucocerebrosidase Activators for Glucosylceramide hydrolysis. Chemmedchem, 19, 2024
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7MY9
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![BU of 7my9 by Molmil](/molmil-images/mine/7my9) | Structure of proline utilization A with 1,3-dithiolane-2-carboxylate bound in the proline dehydrogenase active site | Descriptor: | 1,3-dithiolane-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tanner, J.J, Campbell, A.C. | Deposit date: | 2021-05-20 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.628 Å) | Cite: | Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles. Acs Chem.Biol., 16, 2021
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7MYB
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4XE3
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![BU of 4xe3 by Molmil](/molmil-images/mine/4xe3) | OleP, the cytochrome P450 epoxidase from Streptomyces antibioticus involved in Oleandomycin biosynthesis: functional analysis and crystallographic structure in complex with clotrimazole. | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Montemiglio, L.C, Parisi, G, Scaglione, A, Savino, C, Vallone, B. | Deposit date: | 2014-12-22 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Functional analysis and crystallographic structure of clotrimazole bound OleP, a cytochrome P450 epoxidase from Streptomyces antibioticus involved in oleandomycin biosynthesis. Biochim.Biophys.Acta, 1860, 2015
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7MYA
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7MYC
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4XA7
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![BU of 4xa7 by Molmil](/molmil-images/mine/4xa7) | Soluble part of holo NqrC from V. harveyi | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit C | Authors: | Borshchevskiy, V, Round, E, Bertsova, Y, Polovinkin, V, Gushchin, I, Mishin, A, Kovalev, K, Kachalova, G, Popov, A, Bogachev, A, Gordeliy, V. | Deposit date: | 2014-12-12 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural and Functional Investigation of Flavin Binding Center of the NqrC Subunit of Sodium-Translocating NADH:Quinone Oxidoreductase from Vibrio harveyi. Plos One, 10, 2015
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8P4Q
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![BU of 8p4q by Molmil](/molmil-images/mine/8p4q) | Structure of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803 | Descriptor: | IMP dehydrogenase subunit, INOSINIC ACID, XANTHOSINE-5'-MONOPHOSPHATE | Authors: | Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M. | Deposit date: | 2023-05-23 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution. Structure, 31, 2023
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6SAT
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4XEZ
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1NCC
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![BU of 1ncc by Molmil](/molmil-images/mine/1ncc) | CRYSTAL STRUCTURES OF TWO MUTANT NEURAMINIDASE-ANTIBODY COMPLEXES WITH AMINO ACID SUBSTITUTIONS IN THE INTERFACE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IGG2A-KAPPA NC41 FAB (HEAVY CHAIN), ... | Authors: | Tulip, W.R, Varghese, J.N, Colman, P.M. | Deposit date: | 1992-01-21 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of two mutant neuraminidase-antibody complexes with amino acid substitutions in the interface. J.Mol.Biol., 227, 1992
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8P37
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![BU of 8p37 by Molmil](/molmil-images/mine/8p37) | Structure a catalytically inactive mutant of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803 | Descriptor: | IMP dehydrogenase subunit, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE | Authors: | Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M. | Deposit date: | 2023-05-17 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.219 Å) | Cite: | GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution. Structure, 31, 2023
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4XJ8
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