6M64
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![BU of 6m64 by Molmil](/molmil-images/mine/6m64) | Crystal structure of SMAD2 in complex with CBP | Descriptor: | CBP, Mothers against decapentaplegic homolog 2 | Authors: | Miyazono, K, Ito, T, Wada, H, Tanokura, M. | Deposit date: | 2020-03-13 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural basis for transcriptional coactivator recognition by SMAD2 in TGF-beta signaling. Sci.Signal., 13, 2020
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7CFA
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7CO1
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![BU of 7co1 by Molmil](/molmil-images/mine/7co1) | Crystal structure of SMAD2 in complex with wild-type CBP | Descriptor: | CREB-binding protein, Mothers against decapentaplegic homolog 2 | Authors: | Miyazono, K, Wada, H, Ito, T, Tanokura, M. | Deposit date: | 2020-08-03 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for transcriptional coactivator recognition by SMAD2 in TGF-beta signaling. Sci.Signal., 13, 2020
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6KG2
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![BU of 6kg2 by Molmil](/molmil-images/mine/6kg2) | Human MTHFD2 in complex with Compound 18 | Descriptor: | Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ... | Authors: | Suzuki, M, Matsui, Y, Ota, M, Kawai, J. | Deposit date: | 2019-07-10 | Release date: | 2019-11-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J.Med.Chem., 62, 2019
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6P4V
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6PGR
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6XOG
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![BU of 6xog by Molmil](/molmil-images/mine/6xog) | Structure of SUMO1-ML786519 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6XOH
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![BU of 6xoh by Molmil](/molmil-images/mine/6xoh) | Structure of SUMO1-ML00789344 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6XOI
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![BU of 6xoi by Molmil](/molmil-images/mine/6xoi) | Structure of SUMO1-ML00752641 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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5V8Q
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![BU of 5v8q by Molmil](/molmil-images/mine/5v8q) | Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III | Descriptor: | 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, GLYCEROL | Authors: | Wilson, K.P. | Deposit date: | 2017-03-22 | Release date: | 2017-05-24 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs) Part III: Discovery of 4-(5-oxopyrrolidine-1-yl)benzonitrile derivative 2f as a clinical candidate. Bioorg. Med. Chem., 25, 2017
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7QLM
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7QLO
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![BU of 7qlo by Molmil](/molmil-images/mine/7qlo) | rsKiiro pump dump probe structure by TR-SFX | Descriptor: | rsKiiro | Authors: | van Thor, J.J. | Deposit date: | 2021-12-20 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Optical control of ultrafast structural dynamics in a fluorescent protein. Nat.Chem., 15, 2023
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7QLN
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![BU of 7qln by Molmil](/molmil-images/mine/7qln) | rsKiiro pump probe structure by TR-SFX | Descriptor: | rsKiiro | Authors: | van Thor, J.J. | Deposit date: | 2021-12-20 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Optical control of ultrafast structural dynamics in a fluorescent protein. Nat.Chem., 15, 2023
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4W4Q
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![BU of 4w4q by Molmil](/molmil-images/mine/4w4q) | Glucose isomerase structure determined by serial femtosecond crystallography at SACLA | Descriptor: | CALCIUM ION, Xylose isomerase | Authors: | Nango, E, Tanaka, T, Sugahara, M, Suzuki, M, Iwata, S. | Deposit date: | 2014-08-15 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Grease matrix as a versatile carrier of proteins for serial crystallography Nat.Methods, 12, 2015
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7Y44
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![BU of 7y44 by Molmil](/molmil-images/mine/7y44) | Re-refinement of damage free X-ray structure of bovine cytochrome c oxidase at 1.9 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Tsukihara, T, Hirata, K, Ago, H. | Deposit date: | 2022-06-14 | Release date: | 2022-07-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL. Nat.Methods, 11, 2014
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2G2X
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![BU of 2g2x by Molmil](/molmil-images/mine/2g2x) | X-Ray Crystal Structure Protein Q88CH6 from Pseudomonas putida. Northeast Structural Genomics Consortium Target PpR72. | Descriptor: | SULFATE ION, hypothetical protein PP5205 | Authors: | Kuzin, A.P, Chen, Y, Abashidze, M, Acton, T, Conover, K, Janjua, H, Ma, L.-C, Ho, C.K, Cunningham, K, Montelione, G, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-02-16 | Release date: | 2006-03-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural genomics reveals EVE as a new ASCH/PUA-related domain. Proteins, 75, 2009
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5D9D
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![BU of 5d9d by Molmil](/molmil-images/mine/5d9d) | Luciferin-regenerating enzyme solved by SAD using synchrotron radiation at room temperature | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. Sci Rep, 5, 2015
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5D9C
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![BU of 5d9c by Molmil](/molmil-images/mine/5d9c) | Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against Hg derivative data) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. Sci Rep, 5, 2015
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2GBS
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![BU of 2gbs by Molmil](/molmil-images/mine/2gbs) | NMR structure of Rpa0253 from Rhodopseudomonas palustris. Northeast structural genomics consortium target RpR3 | Descriptor: | Hypothetical protein Rpa0253 | Authors: | Ramelot, T.A, Cort, J.R, Conover, K, Chen, Y, Ma, L.C, Ciano, M, Xiao, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-03-11 | Release date: | 2006-04-11 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural genomics reveals EVE as a new ASCH/PUA-related domain. Proteins, 75, 2009
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4WRI
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![BU of 4wri by Molmil](/molmil-images/mine/4wri) | Crystal structure of okadaic acid binding protein 2.1 | Descriptor: | OKADAIC ACID, Okadaic acid binding protein 2-alpha | Authors: | Ehara, H, Makino, M, Kodama, K, Ito, T, Sekine, S, Fukuzawa, S, Yokoyama, S, Tachibana, K. | Deposit date: | 2014-10-24 | Release date: | 2015-05-27 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of Okadaic Acid Binding Protein 2.1: A Sponge Protein Implicated in Cytotoxin Accumulation Chembiochem, 16, 2015
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5KXU
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![BU of 5kxu by Molmil](/molmil-images/mine/5kxu) | Structure Proteinase K determined by SACLA | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Masuda, T, Suzuki, M, Inoue, S, Numata, K, Sugahara, M. | Deposit date: | 2016-07-20 | Release date: | 2017-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Atomic resolution structure of serine protease proteinase K at ambient temperature. Sci Rep, 7, 2017
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5KXV
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![BU of 5kxv by Molmil](/molmil-images/mine/5kxv) | Structure Proteinase K at 0.98 Angstroms | Descriptor: | CALCIUM ION, GLYCEROL, NITRATE ION, ... | Authors: | Masuda, T, Suzuki, M, Inoue, S, Numata, K, Sugahara, M. | Deposit date: | 2016-07-20 | Release date: | 2017-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Atomic resolution structure of serine protease proteinase K at ambient temperature. Sci Rep, 7, 2017
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5OER
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![BU of 5oer by Molmil](/molmil-images/mine/5oer) | Hen egg-white lysozyme refined against 5000 9 keV diffraction patterns | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C, ... | Authors: | Gorel, A, Schlichting, I. | Deposit date: | 2017-07-09 | Release date: | 2017-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multi-wavelength anomalous diffraction de novo phasing using a two-colour X-ray free-electron laser with wide tunability. Nat Commun, 8, 2017
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6ZAG
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![BU of 6zag by Molmil](/molmil-images/mine/6zag) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 500ms. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4001 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAN
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![BU of 6zan by Molmil](/molmil-images/mine/6zan) | Isopenicillin N synthase in complex with Fe, the oxygen surrogate NO and ACV. | Descriptor: | FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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