Author results

5ZID
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CRYSTAL STRUCTURE OF HUMAN DPP-IV IN COMPLEX WITH HL2
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, (2S,3R)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-8-carbonitrile, ...
Authors:Zhu, L., Li, H., Wu, F.
Deposit date:2018-03-14
Release date:2019-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of human DPP-IV in complex with HL2
To Be Published
6AKS
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CRYO-EM STRUCTURE OF CVA10 MATURE VIRUS
Descriptor:VP1, VP2, VP3, ...
Authors:Zhu, L., Sun, Y., Fan, J.Y., Zhu, B., Cao, L., Gao, Q., Zhang, Y.J., Liu, H.R., Rao, Z.H., Wang, X.X.
Deposit date:2018-09-03
Release date:2019-01-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating.
Nat Commun, 9, 2018
6AKT
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CRYO-EM STRUCTURE OF CVA10 A-PARTICLE
Descriptor:VP1, VP2, VP3
Authors:Zhu, L., Sun, Y., Fan, J.Y., Zhu, B., Cao, L., Gao, Q., Zhang, Y.J., Liu, H.R., Rao, Z.H., Wang, X.X.
Deposit date:2018-09-03
Release date:2019-01-16
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating.
Nat Commun, 9, 2018
6AKU
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CRYO-EM STRUCTURE OF CVA10 EMPTY PARTICLE
Descriptor:VP1, VP2, VP3
Authors:Zhu, L., Sun, Y., Fan, J.Y., Zhu, B., Cao, L., Gao, Q., Zhang, Y.J., Liu, H.R., Rao, Z.H., Wang, X.X.
Deposit date:2018-09-03
Release date:2019-01-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating.
Nat Commun, 9, 2018
5ZQ0
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CRYSTAL STRUCTURE OF SPRLMCD WITH U747LOOP RNA
Descriptor:Uncharacterized RNA methyltransferase SP_1029, RNA (5'-R(*GP*UP*(MUM)P*GP*AP*AP*AP*A)-3'), S-ADENOSYL-L-HOMOCYSTEINE
Authors:Jiang, Y.Y., Yu, H.L.
Deposit date:2018-04-17
Release date:2018-10-24
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5ZQ1
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CRYSTAL STRUCTURE OF SPRLMCD WITH U1939LOOP RNA AT 3.10 ANGSTROM
Descriptor:Uncharacterized RNA methyltransferase SP_1029, RNA (5'-R(*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE
Authors:Yu, H.L., Jiang, Y.Y.
Deposit date:2018-04-17
Release date:2018-10-24
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5ZQ8
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CRYSTAL STRUCTURE OF SPRLMCD WITH U747 STEMLOOP RNA
Descriptor:Uncharacterized RNA methyltransferase SP_1029, RNA (5'-R(*CP*CP*GP*UP*(MUM)P*GP*AP*AP*AP*AP*GP*G)-3'), S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Jiang, Y.Y., Yu, H.L.
Deposit date:2018-04-17
Release date:2018-10-24
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5ZTH
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CRYSTAL STRUCTURE OF SPRLMCD WITH U1939LOOP RNA AT 3.24 ANGSTROM
Descriptor:Uncharacterized RNA methyltransferase SP_1029, RNA (5'-R(P*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE
Authors:Jiang, Y.Y., Yu, H.L.
Deposit date:2018-05-03
Release date:2018-10-24
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
6DXK
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GLUCOCORTICOID RECEPTOR IN COMPLEX WITH COMPOUND 11
Descriptor:Glucocorticoid receptor, (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)
Authors:Rew, Y., Du, X., Eksterowicz, J., Zhou, H., Jahchan, N., Zhu, L., Yan, X., Kawai, H., McGee, L.R., Medina, J.C., Huang, T., Chen, C., Zavorotinskaya, T., Sutimantanapi, D., Waszczuk, J., Jackson, E., Huang, E., Ye, Q., Fantin, V.R., Daqing, S.
Deposit date:2018-06-29
Release date:2018-10-03
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101).
J. Med. Chem., 61, 2018
6DCG
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DISCOVERY OF MK-8353: AN ORALLY BIOAVAILABLE DUAL MECHANISM ERK INHIBITOR FOR ONCOLOGY
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide
Authors:Boga, S.B., Deng, Y., Zhu, L., Nan, Y., Cooper, A., Shipps Jr., G.W., Doll, R., Shih, N., Zhu, H., Sun, R., Wang, T., Paliwal, S., Tsui, H., Gao, X., Yao, X., Desai, J., Wang, J., Alhassan, A.B., Kelly, J., Patel, M., Muppalla, K., Gudipati, S., Zhang, L., Buevich, A., Hesk, D., Carr, D., Dayananth, P., Mei, H., Cox, K., Sherborne, B., Hruza, A.W., Xiao, L., Jin, W., Long, B., Liu, G., Taylor, S.A., Kirschmeier, P., Windsor, W.T., Bishop, R., Samatar, A.A.
Deposit date:2018-05-06
Release date:2018-08-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
6DUB
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CRYSTAL STRUCTURE OF A METHYLTRANSFERASE
Descriptor:Alpha N-terminal protein methyltransferase 1B, RCC1, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Dong, C., Tempel, W., Li, Y., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2018-06-20
Release date:2018-07-25
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:An asparagine/glycine switch governs product specificity of human N-terminal methyltransferase NTMT2.
Commun Biol, 1, 2018
6CPW
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DISCOVERY OF 3(S)-THIOMETHYL PYRROLIDINE ERK INHIBITORS FOR ONCOLOGY
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide
Authors:Hruza, A., Hruza, A.
Deposit date:2018-03-14
Release date:2018-05-23
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
6BA6
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SOLUTION STRUCTURE OF RAP1B/TALIN COMPLEX
Descriptor:Talin-1, Ras-related protein Rap-1b
Authors:Zhu, L., Yang, J., Qin, J.
Deposit date:2017-10-12
Release date:2017-12-06
Method:SOLUTION NMR
Cite:Structure of Rap1b bound to talin reveals a pathway for triggering integrin activation.
Nat Commun, 8, 2017
5WH1
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APO FORM OF THE C-TERMINAL REGION OF HUMAN TRANSCRIPTION FACTOR IIB
Descriptor:Transcription initiation factor IIB, SULFATE ION
Authors:Bratkowski, M.A., Liu, X.
Deposit date:2017-07-14
Release date:2017-11-29
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Structural dissection of an interaction between transcription initiation and termination factors implicated in promoter-terminator cross-talk.
J. Biol. Chem., 293, 2018
5WP3
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CRYSTAL STRUCTURE OF EED IN COMPLEX WITH EB22
Descriptor:Polycomb protein EED, EB22, UNKNOWN ATOM OR ION
Authors:Dong, C., Tempel, W., Zhu, L., Moody, J.D., Baker, D., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2017-08-03
Release date:2017-09-13
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UVI
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SERIAL MILLISECOND CRYSTALLOGRAPHY OF MEMBRANE AND SOLUBLE PROTEIN MICRO-CRYSTALS USING SYNCHROTRON RADIATION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, CHOLESTEROL, ...
Authors:Martin-Garcia, J.M., Conrad, C.E., Nelson, G., Stander, N., Zatsepin, N.A., Zook, J., Zhu, L., Geiger, J., Chun, E., Kissick, D., Hilgart, M.C., Ogata, C., Ishchenko, A., Nagaratnam, N., Roy-Chowdhury, S., Coe, J., Subramanian, G., Schaffer, A., James, D., Ketawala, G., Venugopalan, N., Xu, S., Corcoran, S., Ferguson, D., Weierstall, U., Spence, J.C.H., Cherezov, V., Fromme, P., Fischetti, R.F., Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
5UVJ
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SERIAL MILLISECOND CRYSTALLOGRAPHY OF MEMBRANE AND SOLUBLE PROTEIN MICRO-CRYSTALS USING SYNCHROTRON RADIATION
Descriptor:Lysozyme C, CHLORIDE ION, SODIUM ION
Authors:Martin-Garcia, J.M., Conrad, C.E., Nelson, G., Stander, N., Zatsepin, N.A., Zook, J., Zhu, L., Geiger, J., Chun, E., Kissick, D., Hilgart, M.C., Ogata, C., Ishchenko, A., Nagaratnam, N., Roy-Chowdhury, S., Coe, J., Subramanian, G., Schaffer, A., James, D., Ketawala, G., Venugopalan, N., Xu, S., Corcoran, S., Ferguson, D., Weierstall, U., Spence, J.C.H., Cherezov, V., Fromme, P., Fischetti, R.F., Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
5UVK
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SERIAL MILLISECOND CRYSTALLOGRAPHY OF MEMBRANE AND SOLUBLE PROTEIN MICRO-CRYSTALS USING SYNCHROTRON RADIATION
Descriptor:C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
Authors:Martin-Garcia, J.M., Conrad, C.E., Nelson, G., Stander, N., Zatsepin, N.A., Zook, J., Zhu, L., Geiger, J., Chun, E., Kissick, D., Hilgart, M.C., Ogata, C., Ishchenko, A., Nagaratnam, N., Roy-Chowdhury, S., Coe, J., Subramanian, G., Schaffer, A., James, D., Ketawala, G., Venugopalan, N., Xu, S., Corcoran, S., Ferguson, D., Weierstall, U., Spence, J.C.H., Cherezov, V., Fromme, P., Fischetti, R.F., Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
Iucrj, 4, 2017
5UVL
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SERIAL MILLISECOND CRYSTALLOGRAPHY OF MEMBRANE AND SOLUBLE PROTEIN MICRO-CRYSTALS USING SYNCHROTRON RADIATION
Descriptor:Proteinase K, NITRATE ION, CALCIUM ION
Authors:Martin-Garcia, J.M., Conrad, C.E., Nelson, G., Stander, N., Zatsepin, N.A., Zook, J., Zhu, L., Geiger, J., Chun, E., Kissick, D., Hilgart, M.C., Ogata, C., Ishchenko, A., Nagaratnam, N., Roy-Chowdhury, S., Coe, J., Subramanian, G., Schaffer, A., James, D., Ketawala, G., Venugopalan, N., Xu, S., Corcoran, S., Ferguson, D., Weierstall, U., Spence, J.C.H., Cherezov, V., Fromme, P., Fischetti, R.F., Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
5WSN
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STRUCTURE OF JAPANESE ENCEPHALITIS VIRUS
Descriptor:E protein, M protein
Authors:Wang, X., Zhu, L., Li, S., Yuan, S., Qin, C., Fry, E.E., Stuart, I.D., Rao, Z.
Deposit date:2016-12-07
Release date:2017-05-17
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Near-atomic structure of Japanese encephalitis virus reveals critical determinants of virulence and stability
Nat Commun, 8, 2017
5I8I
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CRYSTAL STRUCTURE OF THE K. LACTIS UREA AMIDOLYASE
Descriptor:Urea Amidolyase
Authors:Zhao, J., Xiang, S.
Deposit date:2016-02-19
Release date:2017-04-05
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (6.5 Å)
Cite:Structure and function of urea amidolyase.
Biosci. Rep., 38, 2018
5J3J
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CRYSTAL STRUCTURE OF HUMAN DPP-IV IN COMPLEX WITH HL1
Descriptor:Dipeptidyl peptidase 4, (2~{S},3~{R})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{H}-benzo[f]chromen-2-amine, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Wu, F., Li, H., Zhao, Z., Zhu, L., Xu, H., Li, S.
Deposit date:2016-03-31
Release date:2017-04-05
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of human DPP-IV in complex with HL1
To Be Published
5UBB
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CRYSTAL STRUCTURE OF HUMAN ALPHA N-TERMINAL PROTEIN METHYLTRANSFERASE 1B
Descriptor:Alpha N-terminal protein methyltransferase 1B, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION
Authors:Dong, C., Zhu, L., Tempel, W., Dong, A., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2016-12-20
Release date:2017-03-22
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:An asparagine/glycine switch governs product specificity of human N-terminal methyltransferase NTMT2.
Commun Biol, 1, 2018
5WTE
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CRYO-EM STRUCTURE FOR HEPATITIS A VIRUS FULL PARTICLE
Descriptor:VP1, VP2, VP3
Authors:Wang, X., Zhu, L., Dang, M., Hu, Z., Gao, Q., Yuan, S., Sun, Y., Zhang, B., Ren, J., Walter, T.S., Wang, J., Fry, E.E., Stuart, D.I., Rao, Z.
Deposit date:2016-12-11
Release date:2017-01-25
Last modified:2017-02-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WTF
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CRYO-EM STRUCTURE FOR HEPATITIS A VIRUS EMPTY PARTICLE
Descriptor:VP1, VP0, VP3
Authors:Wang, X., Zhu, L., Dang, M., Hu, Z., Gao, Q., Yuan, S., Sun, Y., Zhang, B., Ren, J., Walter, T.S., Wang, J., Fry, E.E., Stuart, D.I., Rao, Z.
Deposit date:2016-12-11
Release date:2017-01-25
Last modified:2017-02-08
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017