5LIS
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6Y8L
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![BU of 6y8l by Molmil](/molmil-images/mine/6y8l) | Mycobacterium thermoresistibile GyrB21 in complex with novobiocin | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN, ... | Authors: | Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A. | Deposit date: | 2020-03-05 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase. J.Antimicrob.Chemother., 75, 2020
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6R01
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![BU of 6r01 by Molmil](/molmil-images/mine/6r01) | Streptomyces lividans Ccsp mutant - H107A/H111A | Descriptor: | COPPER (I) ION, Cytosolic copper storage protein | Authors: | Straw, M.L, Hough, M.A, Worrall, J.A. | Deposit date: | 2019-03-12 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | A Histidine Residue and a Tetranuclear Cuprous-thiolate Cluster Dominate the Copper Loading Landscape of a Copper Storage Protein from Streptomyces lividans. Chemistry, 25, 2019
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5LJI
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![BU of 5lji by Molmil](/molmil-images/mine/5lji) | Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target | Descriptor: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, Flavodoxin | Authors: | Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J. | Deposit date: | 2016-07-18 | Release date: | 2016-08-31 | Last modified: | 2016-09-28 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target. Plos One, 11, 2016
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7AMS
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![BU of 7ams by Molmil](/molmil-images/mine/7ams) | Crystal structure of the complex of the KFN mutant of HuJovi-1 Fab with human TRBC2 | Descriptor: | CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ... | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Svensson, A, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | Deposit date: | 2020-10-09 | Release date: | 2022-04-20 | Last modified: | 2022-04-27 | Method: | X-RAY DIFFRACTION (2.419 Å) | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies Res Sq, 2022
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5LG7
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![BU of 5lg7 by Molmil](/molmil-images/mine/5lg7) | Solution NMR structure of Tryptophan to Arginine mutant of Arkadia RING domain | Descriptor: | E3 ubiquitin-protein ligase Arkadia, ZINC ION | Authors: | Birkou, M, Chasapis, C.T, Loutsidou, A.K, Bentrop, D, Lelli, M, Herrmann, T, Episkopou, V, Spyroulias, G.A. | Deposit date: | 2016-07-06 | Release date: | 2017-06-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | A Residue Specific Insight into the Arkadia E3 Ubiquitin Ligase Activity and Conformational Plasticity. J. Mol. Biol., 429, 2017
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6QP8
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![BU of 6qp8 by Molmil](/molmil-images/mine/6qp8) | Drosophila Semaphorin 2b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, ... | Authors: | Robinson, R.A, Rozbesky, D, Harlos, K, Siebold, C, Jones, E.Y. | Deposit date: | 2019-02-13 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning. Nat Commun, 10, 2019
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6PZH
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![BU of 6pzh by Molmil](/molmil-images/mine/6pzh) | Crystal structure of human NA-22 Fab | Descriptor: | NA-22 Fab heavy chain, NA-22 Fab light chain | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2019-07-31 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies. Cell Host Microbe, 26, 2019
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5LC6
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5LKU
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![BU of 5lku by Molmil](/molmil-images/mine/5lku) | Crystal structure of the p300 acetyltransferase catalytic core with coenzyme A. | Descriptor: | COENZYME A, Histone acetyltransferase p300,Histone acetyltransferase p300, ZINC ION | Authors: | Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D. | Deposit date: | 2016-07-25 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of p300 in complex with acyl-CoA variants. Nat. Chem. Biol., 13, 2017
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5LQ7
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![BU of 5lq7 by Molmil](/molmil-images/mine/5lq7) | Salmonella effector SpvD - G161 variant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Przydacz, M, Grabe, G.J, Holden, D.W, Hare, S.A. | Deposit date: | 2016-08-16 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence. J. Biol. Chem., 291, 2016
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5LLD
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![BU of 5lld by Molmil](/molmil-images/mine/5lld) | Flavodiiron core of Escherichia coli flavorubredoxin in the reduced form. | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Romao, C.V, Borges, P.T, Vicente, J.B, Carrondo, M.A, Teixeira, M, Frazao, C. | Deposit date: | 2016-07-27 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Structure of Escherichia coli Flavodiiron Nitric Oxide Reductase. J.Mol.Biol., 428, 2016
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6VUY
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![BU of 6vuy by Molmil](/molmil-images/mine/6vuy) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT358 | Descriptor: | (7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-02-16 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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6NBL
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![BU of 6nbl by Molmil](/molmil-images/mine/6nbl) | Cytochrome P450cam-putidaredoxin complex bound to camphor and cyanide | Descriptor: | 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione, CALCIUM ION, CAMPHOR, ... | Authors: | Follmer, A.H, Tripathi, S.M, Poulos, T.L. | Deposit date: | 2018-12-07 | Release date: | 2019-03-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Ligand and Redox Partner Binding Generates a New Conformational State in Cytochrome P450cam (CYP101A1). J. Am. Chem. Soc., 141, 2019
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5LMK
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![BU of 5lmk by Molmil](/molmil-images/mine/5lmk) | Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor | Descriptor: | 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A. | Deposit date: | 2016-08-01 | Release date: | 2017-01-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines. Eur J Med Chem, 126, 2016
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6GJM
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![BU of 6gjm by Molmil](/molmil-images/mine/6gjm) | Cyclophilin A complexed with tri-vector ligand 4. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.354 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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6W21
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![BU of 6w21 by Molmil](/molmil-images/mine/6w21) | ClpAP Engaged2 State bound to RepA-GFP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ... | Authors: | Lopez, K.L, Rizo, A.N, Tse, E, Lin, J, Scull, N.W, Thwin, A.C, Lucius, A.L, Shorter, J, Southworth, D.R. | Deposit date: | 2020-03-04 | Release date: | 2020-05-13 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis. Nat.Struct.Mol.Biol., 27, 2020
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5LT9
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![BU of 5lt9 by Molmil](/molmil-images/mine/5lt9) | Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in complex with L-Arg | Descriptor: | ARGININE, GLYCEROL, Methyl-accepting chemotaxis protein PctB, ... | Authors: | Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T. | Deposit date: | 2016-09-06 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities Mbio, 2020
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6H24
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8FDA
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![BU of 8fda by Molmil](/molmil-images/mine/8fda) | Human Cytochrome P450 17A1 in complex with steroidal isonitrile inhibitor | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium | Authors: | Richard, A.M, Scott, E.E. | Deposit date: | 2022-12-02 | Release date: | 2023-08-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selective steroidogenic cytochrome P450 haem iron ligation by steroid-derived isonitriles. Commun Chem, 6, 2023
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8DE9
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![BU of 8de9 by Molmil](/molmil-images/mine/8de9) | Cryo-EM structure of the zebrafish two pore domain K+ channel TREK1 (K2P2.1) in DDM/POPE mixed micelles | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, POTASSIUM ION, Potassium channel, ... | Authors: | Schmidpeter, P.A.M, Nimigean, C.M, Riegelhaupt, P.M. | Deposit date: | 2022-06-20 | Release date: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Membrane phospholipids control gating of the mechanosensitive potassium leak channel TREK1. Nat Commun, 14, 2023
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8DE8
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![BU of 8de8 by Molmil](/molmil-images/mine/8de8) | Cryo-EM structure of the zebrafish two pore domain K+ channel TREK1 (K2P2.1) in DDM/POPA mixed micelles | Descriptor: | (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, POTASSIUM ION, Potassium channel, ... | Authors: | Schmidpeter, P.A.M, Nimigean, C.M, Riegelhaupt, P.M. | Deposit date: | 2022-06-20 | Release date: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Membrane phospholipids control gating of the mechanosensitive potassium leak channel TREK1. Nat Commun, 14, 2023
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7S0U
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![BU of 7s0u by Molmil](/molmil-images/mine/7s0u) | PRMT5/MEP50 crystal structure with MTA and phthalazinone fragment bound | Descriptor: | 1,2-ETHANEDIOL, 4-(aminomethyl)phthalazin-1(2H)-one, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A. | Deposit date: | 2021-08-31 | Release date: | 2022-01-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers. J.Med.Chem., 65, 2022
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8G20
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7PGQ
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![BU of 7pgq by Molmil](/molmil-images/mine/7pgq) | GAP-SecPH region of human neurofibromin isoform 2 in closed conformation. | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Neurofibromin, ZINC ION | Authors: | Naschberger, A, Baradaran, R, Carroni, M, Rupp, B. | Deposit date: | 2021-08-15 | Release date: | 2022-10-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The structure of neurofibromin isoform 2 reveals different functional states. Nature, 599, 2021
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