4W5U
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![BU of 4w5u by Molmil](/molmil-images/mine/4w5u) | |
4V0I
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![BU of 4v0i by Molmil](/molmil-images/mine/4v0i) | Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta | Descriptor: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W. | Deposit date: | 2014-09-16 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications. J.Chem.Inf.Model., 56, 2016
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4V1N
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![BU of 4v1n by Molmil](/molmil-images/mine/4v1n) | Architecture of the RNA polymerase II-Mediator core transcription initiation complex | Descriptor: | DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ... | Authors: | Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P. | Deposit date: | 2014-09-29 | Release date: | 2015-02-04 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.8 Å) | Cite: | Architecture of the RNA Polymerase II-Mediator Core Initiation Complex. Nature, 518, 2015
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4UXV
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![BU of 4uxv by Molmil](/molmil-images/mine/4uxv) | Cytoplasmic domain of bacterial cell division protein EzrA | Descriptor: | SEPTATION RING FORMATION REGULATOR EZRA | Authors: | Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J. | Deposit date: | 2014-08-27 | Release date: | 2014-10-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.961 Å) | Cite: | Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis. Nat.Commun., 5, 2014
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5P21
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![BU of 5p21 by Molmil](/molmil-images/mine/5p21) | |
8BTM
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![BU of 8btm by Molmil](/molmil-images/mine/8btm) | Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GdmF | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2022-11-29 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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8JP3
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![BU of 8jp3 by Molmil](/molmil-images/mine/8jp3) | FCP trimer in diatom Thalassiosira pseudonana | Descriptor: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, CHLOROPHYLL A, ... | Authors: | Feng, Y, Li, Z, Zhou, C.C, Liu, C, Shen, J.R, Wang, W. | Deposit date: | 2023-06-10 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | FCP trimer in diatom Thalassiosira pseudonana To Be Published
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8T15
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![BU of 8t15 by Molmil](/molmil-images/mine/8t15) | |
8T17
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![BU of 8t17 by Molmil](/molmil-images/mine/8t17) | |
8T18
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![BU of 8t18 by Molmil](/molmil-images/mine/8t18) | |
4UXL
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![BU of 4uxl by Molmil](/molmil-images/mine/4uxl) | Structure of Human ROS1 Kinase Domain in Complex with PF-06463922 | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2014-08-25 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations. Proc.Natl.Acad.Sci.USA, 112, 2015
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5OQK
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![BU of 5oqk by Molmil](/molmil-images/mine/5oqk) | Solution NMR structure of truncated, human Hv1/VSOP (Voltage-gated proton channel) | Descriptor: | Voltage-gated hydrogen channel 1 | Authors: | Bayrhuber, M, Maslennikov, I, Kwiatowski, W, Sobol, A, Wierschem, C, Eichmann, C, Riek, R. | Deposit date: | 2017-08-12 | Release date: | 2019-04-03 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Nuclear Magnetic Resonance Solution Structure and Functional Behavior of the Human Proton Channel. Biochemistry, 58, 2019
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8C3D
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![BU of 8c3d by Molmil](/molmil-images/mine/8c3d) | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K | Authors: | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | Deposit date: | 2022-12-23 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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1FIA
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![BU of 1fia by Molmil](/molmil-images/mine/1fia) | CRYSTAL STRUCTURE OF THE FACTOR FOR INVERSION STIMULATION FIS AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | FACTOR FOR INVERSION STIMULATION (FIS) | Authors: | Kostrewa, D, Granzin, J, Choe, H.-W, Labahn, J, Saenger, W. | Deposit date: | 1991-12-18 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the factor for inversion stimulation FIS at 2.0 A resolution. J.Mol.Biol., 226, 1992
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1FBZ
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![BU of 1fbz by Molmil](/molmil-images/mine/1fbz) | Structure-based design of a novel, osteoclast-selective, nonpeptide Src SH2 inhibitor with in vivo anti-resorptive activity | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, {4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID | Authors: | Shakespeare, W, Yang, M, Bohacek, R, Cerasoli, F, Stebbis, K, Sundaramoorthi, R, Vu, C, Pradeepan, S, Metcalf, C, Haraldson, C, Merry, T, Dalgarno, D, Narula, S, Hatada, M, Lu, X, Van Schravendijk, M.R, Adams, S, Violette, S, Smith, J, Guan, W, Bartlett, C, Herson, J, Iuliucci, J, Weigele, M, Sawyer, T. | Deposit date: | 2000-07-17 | Release date: | 2000-08-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity. Proc.Natl.Acad.Sci.Usa, 97, 2000
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7NXF
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![BU of 7nxf by Molmil](/molmil-images/mine/7nxf) | Structure of the fungal plasma membrane proton pump Pma1 in its auto-inhibited state - monomer unit | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Heit, S, Geurts, M.M.G, Murphy, B.J, Corey, R, Mills, D.J, Kuehlbrandt, W, Bublitz, M. | Deposit date: | 2021-03-18 | Release date: | 2021-11-17 | Last modified: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of the hexameric fungal plasma membrane proton pump in its autoinhibited state. Sci Adv, 7, 2021
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7NY1
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![BU of 7ny1 by Molmil](/molmil-images/mine/7ny1) | Structure of the fungal plasma membrane proton pump Pma1 in its auto-inhibited state - hexameric assembly | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Heit, S, Geurts, M.M.G, Murphy, B.J, Corey, R, Mills, D.J, Kuehlbrandt, W, Bublitz, M. | Deposit date: | 2021-03-19 | Release date: | 2021-11-17 | Last modified: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Structure of the hexameric fungal plasma membrane proton pump in its autoinhibited state. Sci Adv, 7, 2021
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1FGT
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![BU of 1fgt by Molmil](/molmil-images/mine/1fgt) | |
1F8N
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![BU of 1f8n by Molmil](/molmil-images/mine/1f8n) | |
1FPH
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![BU of 1fph by Molmil](/molmil-images/mine/1fph) | |
1FGQ
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![BU of 1fgq by Molmil](/molmil-images/mine/1fgq) | |
1FI1
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![BU of 1fi1 by Molmil](/molmil-images/mine/1fi1) | FhuA in complex with lipopolysaccharide and rifamycin CGP4832 | Descriptor: | 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ... | Authors: | Ferguson, A.D, Koedding, J, Boes, C, Walker, G, Coulton, J.W, Diederichs, K, Braun, V, Welte, W. | Deposit date: | 2000-08-03 | Release date: | 2001-08-29 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Active transport of an antibiotic rifamycin derivative by the outer-membrane protein FhuA. Structure, 9, 2001
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1FGR
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![BU of 1fgr by Molmil](/molmil-images/mine/1fgr) | |
5OQV
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![BU of 5oqv by Molmil](/molmil-images/mine/5oqv) | Near-atomic resolution fibril structure of complete amyloid-beta(1-42) by cryo-EM | Descriptor: | Amyloid beta A4 protein | Authors: | Gremer, L, Schoelzel, D, Schenk, C, Reinartz, E, Labahn, J, Ravelli, R, Tusche, M, Lopez-Iglesias, C, Hoyer, W, Heise, H, Willbold, D, Schroeder, G.F. | Deposit date: | 2017-08-14 | Release date: | 2017-09-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Fibril structure of amyloid-beta (1-42) by cryo-electron microscopy. Science, 358, 2017
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5OWD
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![BU of 5owd by Molmil](/molmil-images/mine/5owd) | Vitamin D receptor complex | Descriptor: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N, Li, W. | Deposit date: | 2017-08-31 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities. Sci Rep, 8, 2018
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