8OT6
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8OTJ
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7ULL
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![BU of 7ull by Molmil](/molmil-images/mine/7ull) | Human Grp94 N-terminal domain in complex with 42C | Descriptor: | DIMETHYL SULFOXIDE, Endoplasmin, GLYCEROL, ... | Authors: | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | Deposit date: | 2022-04-05 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks. Protein Sci., 32, 2023
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8OT9
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5WS5
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![BU of 5ws5 by Molmil](/molmil-images/mine/5ws5) | Native XFEL structure of photosystem II (preflash dark dataset) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2016-12-05 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL. Nature, 543, 2017
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5L6I
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![BU of 5l6i by Molmil](/molmil-images/mine/5l6i) | Uba1 in complex with Ub-MLN4924 covalent adduct | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Misra, M, Schindelin, H. | Deposit date: | 2016-05-30 | Release date: | 2017-06-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme. Structure, 25, 2017
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6R4V
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![BU of 6r4v by Molmil](/molmil-images/mine/6r4v) | Crystal structure of human geranylgeranyl diphosphate synthase bound to ibandronate | Descriptor: | GLYCEROL, Geranylgeranyl pyrophosphate synthase, IBANDRONATE, ... | Authors: | Lisnyansky, M, Giladi, M, Haitin, Y. | Deposit date: | 2019-03-24 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Metal Coordination Is Crucial for Geranylgeranyl Diphosphate Synthase-Bisphosphonate Interactions: A Crystallographic and Computational Analysis. Mol.Pharmacol., 96, 2019
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4TPZ
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6DHP
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![BU of 6dhp by Molmil](/molmil-images/mine/6dhp) | RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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1H8X
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![BU of 1h8x by Molmil](/molmil-images/mine/1h8x) | Domain-swapped Dimer of a Human Pancreatic Ribonuclease Variant | Descriptor: | RIBONUCLEASE 1 | Authors: | Canals, A, Pous, J, Guasch, A, Benito, A, Ribo, M, Vilanova, M, Coll, M. | Deposit date: | 2001-02-16 | Release date: | 2002-02-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure of an Engineered Domain-Swapped Ribonuclease Dimer and its Implications for the Evolution of Proteins Toward Oligomerization Structure, 9, 2001
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8TXY
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![BU of 8txy by Molmil](/molmil-images/mine/8txy) | X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ... | Authors: | Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M. | Deposit date: | 2023-08-24 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation. Proc.Natl.Acad.Sci.USA, 121, 2024
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7MXN
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![BU of 7mxn by Molmil](/molmil-images/mine/7mxn) | PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999 | Descriptor: | (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | Deposit date: | 2021-05-19 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
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7MX7
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![BU of 7mx7 by Molmil](/molmil-images/mine/7mx7) | PRMT5:MEP50 complexed with inhibitor PF-06939999 | Descriptor: | (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | Deposit date: | 2021-05-18 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
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7MXA
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![BU of 7mxa by Molmil](/molmil-images/mine/7mxa) | PRMT5:MEP50 complexed with inhibitor PF-06855800 | Descriptor: | 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5 | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | Deposit date: | 2021-05-18 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.713 Å) | Cite: | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
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7MXG
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![BU of 7mxg by Molmil](/molmil-images/mine/7mxg) | PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06855800 | Descriptor: | 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5 | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | Deposit date: | 2021-05-19 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
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7MXC
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![BU of 7mxc by Molmil](/molmil-images/mine/7mxc) | PRMT5:MEP50 complexed with adenosine | Descriptor: | ADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5 | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | Deposit date: | 2021-05-18 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
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8POI
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1HO3
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![BU of 1ho3 by Molmil](/molmil-images/mine/1ho3) | CRYSTAL STRUCTURE ANALYSIS OF E. COLI L-ASPARAGINASE II (Y25F MUTANT) | Descriptor: | ASPARTIC ACID, L-ASPARAGINASE II | Authors: | Jaskolski, M, Kozak, M, Lubkowski, P, Palm, J.G, Wlodawer, A. | Deposit date: | 2000-12-08 | Release date: | 2001-03-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of two highly homologous bacterial L-asparaginases: a case of enantiomorphic space groups. Acta Crystallogr.,Sect.D, 57, 2001
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6H0K
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![BU of 6h0k by Molmil](/molmil-images/mine/6h0k) | Hen egg-white lysozyme structure determined with data from the EuXFEL, the first MHz free electron laser, 7.47 keV photon energy | Descriptor: | Lysozyme C | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-07-10 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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6H0L
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![BU of 6h0l by Molmil](/molmil-images/mine/6h0l) | Hen egg-white lysozyme structure determined with data from the EuXFEL, 9.22 keV photon energy | Descriptor: | Lysozyme C | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-07-10 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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5HL4
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![BU of 5hl4 by Molmil](/molmil-images/mine/5hl4) | Acoustic injectors for drop-on-demand serial femtosecond crystallography | Descriptor: | COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | Deposit date: | 2016-01-14 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography. Structure, 24, 2016
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5FVI
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![BU of 5fvi by Molmil](/molmil-images/mine/5fvi) | Structure of IrisFP in mineral grease at 100 K. | Descriptor: | Green to red photoconvertible GFP-like protein EosFP, SULFATE ION | Authors: | Colletier, J.P, Gallat, F.X, Coquelle, N, Weik, M. | Deposit date: | 2016-02-07 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.397 Å) | Cite: | Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein Irisfp. J.Phys.Chem.Lett., 7, 2016
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5HQD
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![BU of 5hqd by Molmil](/molmil-images/mine/5hqd) | Acoustic injectors for drop-on-demand serial femtosecond crystallography | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | Authors: | Roesser, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | Deposit date: | 2016-01-21 | Release date: | 2016-02-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography. Structure, 24, 2016
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6DHF
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![BU of 6dhf by Molmil](/molmil-images/mine/6dhf) | RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.08 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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1R4C
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![BU of 1r4c by Molmil](/molmil-images/mine/1r4c) | |