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5OM2
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CRYSTAL STRUCTURE OF ALPHA1-ANTICHYMOTRYPSIN VARIANT DBS-I1: A DRUG-BINDING SERPIN FOR DOXYCYCLINE
Descriptor:Alpha-1-antichymotrypsin, 1,2-ETHANEDIOL, (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
Authors:Schmidt, K., Muller, Y.A.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM3
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CRYSTAL STRUCTURE OF ALPHA1-ANTICHYMOTRYPSIN VARIANT DBS-I5: A MMP14-CLEAVABLE DRUG-BINDING SERPIN FOR DOXYCYCLINE
Descriptor:Alpha-1-antichymotrypsin, DI(HYDROXYETHYL)ETHER, (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
Authors:Schmidt, K., Muller, Y.A.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM5
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CRYSTAL STRUCTURE OF ALPHA1-ANTICHYMOTRYPSIN VARIANT DBS-I-ALLO1: AN ALLOSTERICALLY TRIGGERED DRUG-BINDING SERPIN FOR DOXYCYCLINE
Descriptor:Alpha-1-antichymotrypsin, 1,2-ETHANEDIOL, CHLORIDE ION
Authors:Schmidt, K., Muller, Y.A.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM6
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CRYSTAL STRUCTURE OF ALPHA1-ANTICHYMOTRYPSIN VARIANT DBS-I-ALLO2: A MMP9-CLEAVABLE DRUG-BINDING SERPIN FOR DOXYCYCLINE
Descriptor:Alpha-1-antichymotrypsin, CITRIC ACID, 1,2-ETHANEDIOL, ...
Authors:Schmidt, K., Muller, Y.A.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM7
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CRYSTAL STRUCTURE OF ALPHA1-ANTICHYMOTRYPSIN VARIANT DBS-II: A DRUG-BINDING SERPIN FOR DOXORUBICIN
Descriptor:Alpha-1-antichymotrypsin, DOXORUBICIN
Authors:Schmidt, K., Kern, A., Muller, Y.A.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (1.727 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM8
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CRYSTAL FORM 2 OF ALPHA1-ANTICHYMOTRYPSIN VARIANT DBS-II-ALLO: AN ALLOSTERICALLY MODULATED DRUG-BINDING SERPIN FOR DOXORUBICIN
Descriptor:Alpha-1-antichymotrypsin, CHLORIDE ION, 1,2-ETHANEDIOL, ...
Authors:Schmidt, K., Muller, Y.A.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6FTP
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CRYSTAL FORM 1 OF ALPHA1-ANTICHYMOTRYPSIN VARIANT DBS-II-ALLO: AN ALLOSTERICALLY MODULATED DRUG-BINDING SERPIN FOR DOXORUBICIN
Descriptor:Alpha-1-antichymotrypsin, 1,2-ETHANEDIOL, DOXORUBICIN
Authors:Schmidt, K., Muller, Y.
Deposit date:2018-02-22
Release date:2018-05-23
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EL3
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STRUCTURE OF PROGESTERONE 5BETA-REDUCTASE FROM ARABIDOPSIS THALIANA IN COMPLEX WITH NADP
Descriptor:3-oxo-Delta(4,5)-steroid 5-beta-reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, CHLORIDE ION
Authors:Muller, Y.A., Schmidt, K., Egerer-Sieber, C.
Deposit date:2017-09-27
Release date:2018-09-05
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:PRISEs (progesterone 5 beta-reductase and/or iridoid synthase-like 1,4-enone reductases): Catalytic and substrate promiscuity allows for realization of multiple pathways in plant metabolism.
Phytochemistry, 156, 2018
4PBU
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SERIAL TIME-RESOLVED CRYSTALLOGRAPHY OF PHOTOSYSTEM II USING A FEMTOSECOND X-RAY LASER THE S1 STATE
Descriptor:Photosystem Q(B) protein 1, Photosystem II core light harvesting protein, Photosystem II CP43 protein, ...
Authors:Kupitz, C., Basu, S., Grotjohann, I., Fromme, R., Zatsepin, N., Rendek, K.N., Hunter, M., Shoeman, R.L., White, T.A., Wang, D., James, D., Yang, J.H., Cobb, D.E., Reeder, B., Sierra, R.G., Liu, H., Barty, A., Aquila, A., Deponte, D., Kirian, R.A., Bari, S., Bergkamp, J.J., Beyerlein, K., Bogan, M.J., Caleman, C., Chao, T.-C., Conrad, C.E., Davis, K.M., Fleckenstein, H., Galli, L., Hau-Riege, S.P., Kassemeyer, S., Laksmono, H., Liang, M., Lomb, L., Marchesini, S., Martin, A.V., Messerschmidt, M., Milathianaki, D., Nass, K., Ros, A., Roy-Chowdhury, S., Schmidt, K., Seibert, M., Steinbrener, J., Stellato, F., Yan, L., Yoon, C., Moore, T.A., Moore, A.L., Pushkar, Y., Williams, G.J., Boutet, S., Doak, R.B., Weierstall, U., Frank, M., Chapman, H.N., Spence, J.C.H., Fromme, P.
Deposit date:2014-04-13
Release date:2014-07-16
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
4RVY
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SERIAL TIME RESOLVED CRYSTALLOGRAPHY OF PHOTOSYSTEM II USING A FEMTOSECOND X-RAY LASER. THE S STATE AFTER TWO FLASHES (S3)
Descriptor:Photosystem II protein D1 1, Photosystem II CP47 reaction center protein, Photosystem II CP43 reaction center protein, ...
Authors:Kupitz, C., Basu, S., Grotjohann, I., Fromme, R., Zatsepin, N., Rendek, K.N., Hunter, M., Shoeman, R.L., White, T.A., Wang, D., James, D., Yang, J.-H., Cobb, D.E., Reeder, B., Sierra, R.G., Liu, H., Barty, A., Aquila, A., Deponte, D., Kirian, R., Bari, S., Bergkamp, J.J., Beyerlein, K., Bogan, M.J., Caleman, C., Chao, T.-C., Conrad, C.E., Davis, K.M., Fleckenstein, H., Galli, L., Hau-Riege, S.P., Kassemeyer, S., Laksmono, H., Liang, M., Lomb, L., Marchesini, S., Martin, A.V., Messerschmidt, M., Milathianaki, D., Nass, K., Ros, A., Roy-Chowdhury, S., Schmidt, K., Seibert, M., Steinbrener, J., Stellato, F., Yan, L., Yoon, C., Moore, T.A., Moore, A.L., Pushkar, Y., Williams, G.J., Boutet, S., Doak, R.B., Weierstall, U., Frank, M., Chapman, H.N., Spence, J.C.H., Fromme, P.
Deposit date:2014-11-29
Release date:2015-11-04
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
4RYL
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HUMAN PROTEIN ARGININE METHYLTRANSFERASE 3 IN COMPLEX WITH 1-ISOQUINOLIN-6-YL-3-[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]UREA
Descriptor:PRMT3 protein, 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, UNKNOWN ATOM OR ION
Authors:Dong, A., Dobrovetsky, E., Kaniskan, H.U., Szewczyk, M., Yu, Z., Eram, M.S., Yang, X., Schmidt, K., Luo, X., Dai, M., He, F., Zang, I., Lin, Y., Kennedy, S., Li, F., Tempel, W., Smil, D., Min, S.J., Landon, M., Lin-Jones, J., Huang, X.P., Roth, B.L., Schapira, M., Atadja, P., Barsyte-Lovejoy, D., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Brown, P.J., Zhao, K., Jin, J., Vedadi, M., Structural Genomics Consortium (SGC)
Deposit date:2014-12-15
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3).
Angew.Chem.Int.Ed.Engl., 54, 2015
4QQN
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PROTEIN ARGININE METHYLTRANSFERASE 3 IN COMPLEX WITH COMPOUND MTV044246
Descriptor:PRMT3 protein, 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, GLYCEROL, ...
Authors:Dong, A., Dobrovetsky, E., Tempel, W., He, H., Zhao, K., Smil, D., Landon, M., Luo, X., Chen, Z., Dai, M., Yu, Z., Lin, Y., Zhang, H., Zhao, K., Schapira, M., Brown, P.J., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Vedadi, M., Structural Genomics Consortium (SGC)
Deposit date:2014-06-27
Release date:2014-09-17
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).
J. Med. Chem., 61, 2018
4Z5R
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RONTALIZUMAB FAB BOUND TO INTERFERON-A2
Descriptor:Interferon alpha-2, anti-IFN-a antibody rontalizumab light chain, anti-IFN-a antibody rontalizumab heavy chain modules VH and CH1 (Fab), ...
Authors:Eigenbrot, C., Maurer, B., Bosanac, I.
Deposit date:2015-04-02
Release date:2015-07-08
Last modified:2015-09-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of the broadly neutralizing anti-interferon-alpha antibody rontalizumab.
Protein Sci., 24, 2015