7RMK
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![BU of 7rmk by Molmil](/molmil-images/mine/7rmk) | Yeast CTP Synthase (Ura7) Bundle bound to substrates at low pH | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, URIDINE 5'-TRIPHOSPHATE | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | Deposit date: | 2021-07-27 | Release date: | 2021-11-24 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation. Elife, 10, 2021
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6NBH
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![BU of 6nbh by Molmil](/molmil-images/mine/6nbh) | Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting parathyroid hormone analog and G protein | Descriptor: | CHOLESTEROL, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, L.-H, Ma, S, Sutkeviciute, I, Shen, D.-D, Zhou, X.E, de Waal, P.P, Li, C.-Y, Kang, Y, Clark, L.J, Jean-Alphonse, F.G, White, A.D, Xiao, K, Yang, D, Jiang, Y, Watanabe, T, Gardella, T.J, Melcher, K, Wang, M.-W, Vilardaga, J.-P, Xu, H.E, Zhang, Y. | Deposit date: | 2018-12-07 | Release date: | 2019-04-17 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure and dynamics of the active human parathyroid hormone receptor-1. Science, 364, 2019
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7RNL
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![BU of 7rnl by Molmil](/molmil-images/mine/7rnl) | Yeast CTP Synthase (Ura7) H360R Filament bound to Substrates | Descriptor: | CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | Deposit date: | 2021-07-29 | Release date: | 2021-11-24 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation. Elife, 10, 2021
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6Q8T
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![BU of 6q8t by Molmil](/molmil-images/mine/6q8t) | Cryo structure of HEWL at 81 kGy | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C | Authors: | de la Mora, E, Coquelle, N, Bury, C.S, Rosenthal, M, Garman, E.F, Burghammer, M, Colletier, J.P, Weik, M. | Deposit date: | 2018-12-16 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74008667 Å) | Cite: | Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6QH4
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![BU of 6qh4 by Molmil](/molmil-images/mine/6qh4) | Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant | Descriptor: | COBALT (II) ION, Methylmalonyl-CoA epimerase, mitochondrial | Authors: | Bailey, H.J, Chaikuid, A, Krysztofinska, E, Froese, D.S, Sorrell, F.J, Diaz-Saez, L, Kennedy, E, Edwards, A.M, Bountra, C, Yue, W.W. | Deposit date: | 2019-01-15 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.922 Å) | Cite: | Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant To Be Published
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4X9E
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![BU of 4x9e by Molmil](/molmil-images/mine/4x9e) | DEOXYGUANOSINETRIPHOSPHATE TRIPHOSPHOHYDROLASE from Escherichia coli with two DNA effector molecules | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, MAGNESIUM ION, RNA (5'-R(P*CP*CP*C)-3') | Authors: | Singh, D, Gawel, D, Itsko, M, Krahn, J.M, London, R.E, Schaaper, R.M. | Deposit date: | 2014-12-11 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of Escherichia coli dGTP Triphosphohydrolase: A HEXAMERIC ENZYME WITH DNA EFFECTOR MOLECULES. J.Biol.Chem., 290, 2015
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6GVF
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![BU of 6gvf by Molmil](/molmil-images/mine/6gvf) | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine | Descriptor: | 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | Deposit date: | 2018-06-21 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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4WMG
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![BU of 4wmg by Molmil](/molmil-images/mine/4wmg) | Structure of hen egg-white lysozyme from a microfludic harvesting device using synchrotron radiation (2.5A) | Descriptor: | Lysozyme C | Authors: | Lyubimov, A.Y, Murray, T.D, Koehl, A, Uervirojnangkoorn, M, Zeldin, O.B, Cohen, A.E, Soltis, S.M, Baxter, E.M, Brewster, A.S, Sauter, N.K, Brunger, A.T, Berger, J.M. | Deposit date: | 2014-10-08 | Release date: | 2015-04-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Capture and X-ray diffraction studies of protein microcrystals in a microfluidic trap array. Acta Crystallogr.,Sect.D, 71, 2015
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8V4U
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![BU of 8v4u by Molmil](/molmil-images/mine/8v4u) | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | Descriptor: | 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide | Authors: | Greasley, S.E, Ferre, R.A, Liu, W. | Deposit date: | 2023-11-29 | Release date: | 2024-05-15 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.819 Å) | Cite: | A Second-Generation Oral SARS-CoV-2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19. J.Med.Chem., 67, 2024
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6W1Z
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![BU of 6w1z by Molmil](/molmil-images/mine/6w1z) | ClpAP Engaged1 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: | 2020-05-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis. Nat.Struct.Mol.Biol., 27, 2020
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5N1P
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![BU of 5n1p by Molmil](/molmil-images/mine/5n1p) | Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with N-hydroxynaphthalene-1-carboxamide | Descriptor: | 1,2-ETHANEDIOL, Peptidoglycan N-acetylglucosamine deacetylase, SODIUM ION, ... | Authors: | Giastas, P, Andreou, A, Eliopoulos, E.E. | Deposit date: | 2017-02-06 | Release date: | 2018-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.448 Å) | Cite: | Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors. Biochemistry, 57, 2018
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6QHT
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![BU of 6qht by Molmil](/molmil-images/mine/6qht) | Time resolved structural analysis of the full turnover of an enzyme - 376 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QI2
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![BU of 6qi2 by Molmil](/molmil-images/mine/6qi2) | Time resolved structural analysis of the full turnover of an enzyme - 13536 ms | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6W3A
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![BU of 6w3a by Molmil](/molmil-images/mine/6w3a) | Structure of unphosphorylated IRE1 in complex with G-7658 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide | Authors: | Ferri, E, Wang, W, Joachim, R, Mortara, K. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.606 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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7AHU
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![BU of 7ahu by Molmil](/molmil-images/mine/7ahu) | Anti-FX Fab of mim8 in complex with human FXa | Descriptor: | Anti-FX Fab of mim8 heavy chain, Anti-FX Fab of mim8 light chain, CALCIUM ION, ... | Authors: | Johansson, E. | Deposit date: | 2020-09-25 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice. Blood, 138, 2021
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7AU5
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![BU of 7au5 by Molmil](/molmil-images/mine/7au5) | Tubulin-noscapine-analogue-14e complex | Descriptor: | (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yong, C, Devine, S.M, Abel, A.-C, Muthiah, D, Gao, X, Callaghan, R, Capuano, B, Steinmetz, M.O, Prota, A.E, Scammels, P.J. | Deposit date: | 2020-11-02 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 1,3-Benzodioxole-Modified Noscapine Analogues: Synthesis, Antiproliferative Activity, and Tubulin-Bound Structure. Chemmedchem, 16, 2021
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6QHU
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![BU of 6qhu by Molmil](/molmil-images/mine/6qhu) | Time resolved structural analysis of the full turnover of an enzyme - 100 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QI1
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![BU of 6qi1 by Molmil](/molmil-images/mine/6qi1) | Time resolved structural analysis of the full turnover of an enzyme - 12312 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QHP
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![BU of 6qhp by Molmil](/molmil-images/mine/6qhp) | Time resolved structural analysis of the full turnover of an enzyme - 2256 ms covalent intermediate 1 | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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8AJX
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![BU of 8ajx by Molmil](/molmil-images/mine/8ajx) | E. coli NfsA with Fumarate | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, FUMARIC ACID, ... | Authors: | Day, M.A, Jarrom, D, White, S.A, Hyde, E.I. | Deposit date: | 2022-07-28 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Oxygen-insensitive nitroreductase E. coli NfsA, but not NfsB, is inhibited by fumarate. Proteins, 91, 2023
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6QHX
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![BU of 6qhx by Molmil](/molmil-images/mine/6qhx) | Time resolved structural analysis of the full turnover of an enzyme - 6156 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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8ABV
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![BU of 8abv by Molmil](/molmil-images/mine/8abv) | Crystal structure of SpLdpA in complex with erythro-DGPD | Descriptor: | (1R,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, (1S,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, GLYCEROL, ... | Authors: | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2022-07-04 | Release date: | 2023-02-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.683 Å) | Cite: | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation. Proc.Natl.Acad.Sci.USA, 120, 2023
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8VSH
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![BU of 8vsh by Molmil](/molmil-images/mine/8vsh) | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D | Descriptor: | Group 1 truncated hemoglobin, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron | Authors: | Lecomte, J.T.J, Martinez, J.E, Schlessman, J.L, Schultz, T.D, Siegler, M.A. | Deposit date: | 2024-01-24 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Heme d formation in a Shewanella benthica hemoglobin. J.Inorg.Biochem., 259, 2024
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8ABT
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![BU of 8abt by Molmil](/molmil-images/mine/8abt) | Crystal structure of NaLdpA in complex with the product analog Resveratrol | Descriptor: | RESVERATROL, SULFATE ION, SnoaL-like domain-containing protein | Authors: | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2022-07-04 | Release date: | 2023-02-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation. Proc.Natl.Acad.Sci.USA, 120, 2023
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6W23
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![BU of 6w23 by Molmil](/molmil-images/mine/6w23) | ClpA Disengaged State bound to RepA-GFP (Focused Classification) | 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: | 2020-05-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis. Nat.Struct.Mol.Biol., 27, 2020
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