8PDH
| The phosphatase and C2 domains of SHIP1 with covalent Z1742148362 | Descriptor: | (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | Deposit date: | 2023-06-12 | Release date: | 2023-06-28 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 32, 2024
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8PDG
| The phosphatase and C2 domains of SHIP1 with covalent Z2738285202 | Descriptor: | DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, ~{N}-(8-chloranylquinolin-2-yl)propanamide | Authors: | Bradshaw, W.J, Moreira, T, Scacioc, A, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | Deposit date: | 2023-06-12 | Release date: | 2023-06-28 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 32, 2024
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6X5K
| Crystal structure of CODH/ACS with carbon monoxide bound to the A-cluster | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CARBON MONOXIDE, Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha, ... | Authors: | Cohen, S.E, Wittenborn, E.C, Hendrickson, R, Drennan, C.L. | Deposit date: | 2020-05-26 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Crystallographic Characterization of the Carbonylated A-Cluster in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase Acs Catalysis, 10, 2020
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5M7G
| Tubulin-MTD147 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | Deposit date: | 2016-10-27 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
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6GR2
| Structure of human galactokinase in complex with galactose and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Galactokinase, SULFATE ION, ... | Authors: | Bezerra, G.A, Mackinnon, S, Williams, E, Zhang, M, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-08 | Release date: | 2019-06-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure of human galactokinase in complex with galactose and ADP To Be Published
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5M7E
| Tubulin-BKM120 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | Deposit date: | 2016-10-27 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.046 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
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6X3T
| Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus propofol | Descriptor: | 2,6-BIS(1-METHYLETHYL)PHENOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2020-05-21 | Release date: | 2020-09-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature, 585, 2020
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7QZW
| Hm-AMP8 | Descriptor: | Hm-AMP8 | Authors: | Grafskaia, E.N, Pavlova, E.R, Latsis, I.A, Malakhova, M.V, Lavrenova, V.N, Ivchenkov, D.V, Bashkirov, P.V, Kot, E.F, Mineev, K.S, Arseniev, A.S, Klinov, D.V, Lazarev, V.N. | Deposit date: | 2022-02-01 | Release date: | 2023-02-15 | Method: | SOLUTION NMR | Cite: | The study of the interaction of cationic peptides from a medical leech with blood components as a first step to the systemic use of antimicrobial peptides for therapy of infectious diseases To Be Published
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5MAH
| Crystal structure of MELK in complex with an inhibitor | Descriptor: | CHLORIDE ION, GLYCEROL, Maternal embryonic leucine zipper kinase, ... | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | Deposit date: | 2016-11-03 | Release date: | 2017-12-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The target landscape of clinical kinase drugs. Science, 358, 2017
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6Z9E
| 1.55 A structure of human apoferritin obtained from data subset of Titan Mono-BCOR microscope | Descriptor: | Ferritin heavy chain, SODIUM ION | Authors: | Yip, K.M, Fischer, N, Paknia, E, Chari, A, Stark, H. | Deposit date: | 2020-06-03 | Release date: | 2020-06-24 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (1.55 Å) | Cite: | Atomic-resolution protein structure determination by cryo-EM. Nature, 587, 2020
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1Y3D
| Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R67A mutant | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | Deposit date: | 2004-11-24 | Release date: | 2005-05-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2 Biochemistry, 44, 2005
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6TMN
| Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond | Descriptor: | CALCIUM ION, N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine, THERMOLYSIN, ... | Authors: | Tronrud, D.E, Holden, H.M, Matthews, B.W. | Deposit date: | 1987-06-29 | Release date: | 1989-01-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond. Science, 235, 1987
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6BPG
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5KC6
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6T3L
| PAS-GAF fragment from Deinococcus radiodurans phytochrome in dark state | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | Authors: | Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S. | Deposit date: | 2019-10-11 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser. Elife, 9, 2020
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6T3U
| PAS-GAF fragment from Deinococcus radiodurans phytochrome 1ps after photoexcitation | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | Authors: | Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S. | Deposit date: | 2019-10-11 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser. Elife, 9, 2020
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6YWM
| Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | Authors: | Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-29 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain. Acs Med.Chem.Lett., 12, 2021
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6X3W
| Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus phenobarbital | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, ... | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2020-05-21 | Release date: | 2020-09-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature, 585, 2020
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6T4C
| Bovine enterovirus F3 in complex with glutathione | Descriptor: | GLUTATHIONE, GLYCEROL, POTASSIUM ION, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. | Deposit date: | 2019-10-13 | Release date: | 2020-01-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Glutathione facilitates enterovirus assembly by binding at a druggable pocket. Commun Biol, 3, 2020
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5AQP
| Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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6T8K
| Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with Man9GlcNAc product in P1 | Descriptor: | CALCIUM ION, Endo-beta-N-acetylglucosaminidase F1, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Trastoy, B, Du, J.J, Klontz, E.H, Cifuente, J.O, Sundberg, E.J, Guerin, M.E. | Deposit date: | 2019-10-24 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides. Nat Commun, 11, 2020
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7TIT
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6ZG8
| bovine ATP synthase rotor domain state 2 | Descriptor: | ATP synthase F(0) complex subunit C2, mitochondrial, ATP synthase subunit delta, ... | Authors: | Spikes, T, Montgomery, M.G, Walker, J.E. | Deposit date: | 2020-06-18 | Release date: | 2020-09-09 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria. Proc.Natl.Acad.Sci.USA, 117, 2020
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7TJ7
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7TIJ
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