Author results

3U7Q
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A. VINELANDII NITROGENASE MOFE PROTEIN AT ATOMIC RESOLUTION
Descriptor:Nitrogenase molybdenum-iron protein alpha chain, Nitrogenase molybdenum-iron protein beta chain, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ...
Authors:Spatzal, T., Einsle, O.
Deposit date:2011-10-14
Release date:2011-12-07
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:Evidence for interstitial carbon in nitrogenase FeMo cofactor.
Science, 334, 2011
5ZAT
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CRYSTAL STRUCTURE OF 5-CARBOXYLCYTOSINE CONTAINING DECAMER DSDNA
Descriptor:DNA (5'-D(*CP*CP*AP*GP*(CAC)P*GP*CP*TP*GP*G)-3')
Authors:Fu, T.R., Zhang, L.
Deposit date:2018-02-08
Release date:2019-02-13
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
6B8F
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CONTRACTED HUMAN HEAVY-CHAIN FERRITIN CRYSTAL-HYDROGEL HYBRID
Descriptor:Ferritin heavy chain, FE (III) ION, CALCIUM ION
Authors:Zhang, L., Bailey, J.B., Subramanian, R., Tezcan, F.A.
Deposit date:2017-10-07
Release date:2018-05-02
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks.
Nature, 557, 2018
6B8G
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TWICE-CONTRACTED HUMAN HEAVY-CHAIN FERRITIN CRYSTAL-HYDROGEL HYBRID
Descriptor:Ferritin heavy chain, FE (III) ION, CALCIUM ION
Authors:Zhang, L., Bailey, J.B., Subramanian, R., Tezcan, F.A.
Deposit date:2017-10-07
Release date:2018-05-02
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks.
Nature, 557, 2018
3TBN
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CRYSTAL STRUCTURE OF A MINER2 HOMOLOG: A TYPE 6 CDGSH IRON-SULFUR PROTEIN.
Descriptor:Putative uncharacterized protein, FE2/S2 (INORGANIC) CLUSTER
Authors:Lin, J., Zhang, L., Ye, K.
Deposit date:2011-08-07
Release date:2011-10-05
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure and Molecular Evolution of CDGSH Iron-Sulfur Domains.
Plos One, 6, 2011
4MC9
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HIV PROTEASE IN COMPLEX WITH AA74
Descriptor:Protease, (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, 1,2-ETHANEDIOL, ...
Authors:Ganguly, A.K., Alluri, S.S., Wang, C., Antropow, A., White, A., Caroccia, D., Biswas, D., Kang, E., Zhang, L., Carroll, S.S., Burlein, C., Munshi, V., Orth, P., Strickland, C.
Deposit date:2013-08-21
Release date:2014-04-02
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
5HDM
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CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA GLUTAMATE-1-SEMIALDEHYDE-2,1-AMINOMUTASE
Descriptor:Glutamate-1-semialdehyde 2,1-aminomutase 1, chloroplastic, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ...
Authors:Song, Y., Pu, H., Liu, L.
Deposit date:2016-01-05
Release date:2016-06-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of glutamate-1-semialdehyde-2,1-aminomutase from Arabidopsis thaliana
Acta Crystallogr.,Sect.F, 72, 2016
4FZP
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CRYSTAL STRUCTURE OF THE URANYL BINDING PROTEIN COMPLEXED WITH URANYL
Descriptor:uranyl binding protein, URANYL (VI) ION
Authors:Zhou, L., Zhang, L., He, C.
Deposit date:2012-07-06
Release date:2013-12-11
Last modified:2014-05-21
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:A protein engineered to bind uranyl selectively and with femtomolar affinity.
Nat Chem, 6, 2014
4FZO
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CRYSTAL STRUCTURE OF THE APO-FORM URANYL BINDING PROTEIN
Descriptor:uranyl binding protein
Authors:He, C., Zhou, L., Zhang, L.
Deposit date:2012-07-06
Release date:2013-12-11
Last modified:2014-05-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A protein engineered to bind uranyl selectively and with femtomolar affinity.
Nat Chem, 6, 2014
4IGH
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HIGH RESOLUTION CRYSTAL STRUCTURE OF HUMAN DIHYDROOROTATE DEHYDROGENASE BOUND WITH 4-QUINOLINE CARBOXYLIC ACID ANALOG
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X., Das, P., Fontoura, B.M.A., Phillips, M.A., De Brabander, J.K.
Deposit date:2012-12-17
Release date:2013-08-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:SAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity.
ACS MED.CHEM.LETT., 4, 2013
5DZO
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CRYSTAL STRUCTURE OF HUMAN T-CELL IMMUNOGLOBULIN AND MUCIN DOMAIN PROTEIN 1
Descriptor:Hepatitis A virus cellular receptor 1, NITRATE ION, SODIUM ION
Authors:Yuan, S., Rao, Z., Wang, X.
Deposit date:2015-09-25
Release date:2015-11-25
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:TIM-1 acts a dual-attachment receptor for Ebolavirus by interacting directly with viral GP and the PS on the viral envelope.
Protein Cell, 6, 2015
4MC6
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HIV PROTEASE IN COMPLEX WITH SA499
Descriptor:Protease, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, 1,2-ETHANEDIOL, ...
Authors:Ganguly, A.K., Alluri, S.S., Wang, C., Antropow, A., White, A., Caroccia, D., Biswas, D., Kang, E., Zhang, L., Carroll, S.S., Burlein, C., Munshi, V., Orth, P., Strickland, C.
Deposit date:2013-08-21
Release date:2014-04-02
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
4KQW
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THE STRUCTURE OF THE SLACKIA EXIGUA KARI IN COMPLEX WITH NADP
Descriptor:Ketol-acid reductoisomerase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, L(+)-TARTARIC ACID, ...
Authors:Brinkmann-Chen, S., Flock, T., Cahn, J.K.B., Snow, C.D., Brustad, E.M., Mcintosh, J.A., Meinhold, P., Zhang, L., Arnold, F.H.
Deposit date:2013-05-15
Release date:2013-06-26
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MC1
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HIV PROTEASE IN COMPLEX WITH SA526P
Descriptor:Protease, CHLORIDE ION, (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
Authors:Ganguly, A.K., Alluri, S.S., Wang, C., Antropow, A., White, A., Caroccia, D., Biswas, D., Kang, E., Zhang, L., Carroll, S.S., Burlein, C., Munshi, V., Orth, P., Strickland, C.
Deposit date:2013-08-21
Release date:2014-04-02
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
4GWG
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CRYSTAL STRUCTURE ANALYSIS OF 6-PHOSPHOGLUCONATE DEHYDROGENASE APO-FORM
Descriptor:6-phosphogluconate dehydrogenase, decarboxylating, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:He, C., Zhou, L., Zhang, L.
Deposit date:2012-09-03
Release date:2012-11-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.3907 Å)
Cite:Phosphoglycerate mutase 1 coordinates glycolysis and biosynthesis to promote tumor growth.
Cancer Cell, 22, 2012
4YLA
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CRYSTAL STRUCTURE OF THE INDOLE PRENYLTRANSFERASE MPND COMPLEXED WITH INDOLACTAM V AND DMSPP
Descriptor:Aromatic prenyltransferase, (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, SULFATE ION, ...
Authors:Mori, T., Morita, H., Abe, I.
Deposit date:2015-03-05
Release date:2016-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases.
Nat Commun, 7, 2016
6JV5
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CRYSTAL STRUCTURE OF 5-METHYLCYTOSINE CONTAINING DECAMER DSDNA
Descriptor:DNA (5'-D(*CP*CP*AP*GP*(5CM)P*GP*CP*TP*GP*G)-3')
Authors:Zhang, L., Wang, Y.X.
Deposit date:2019-04-15
Release date:2019-07-31
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
5TJX
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STRUCTURE OF HUMAN PLASMA KALLIKREIN
Descriptor:Plasma kallikrein, (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one, PHOSPHATE ION
Authors:Partridge, J.R., Choy, R.M., Li, Z.
Deposit date:2016-10-05
Release date:2016-12-21
Last modified:2017-03-01
Method:X-RAY DIFFRACTION (1.408 Å)
Cite:Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors.
ACS Med Chem Lett, 8, 2017
6C5B
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CRYSTAL STRUCTURE ANALYSIS OF LAPHZM
Descriptor:Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, FORMIC ACID, ...
Authors:Beltran, D.G., Schacht, A., Zhang, L.
Deposit date:2018-01-15
Release date:2018-03-21
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Functional and Structural Analysis of Phenazine O-Methyltransferase LaPhzM from Lysobacter antibioticus OH13 and One-Pot Enzymatic Synthesis of the Antibiotic Myxin.
ACS Chem. Biol., 13, 2018
4XXU
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MODA - CHROMATE BOUND
Descriptor:Molybdate-binding periplasmic protein, Chromate
Authors:He, C., Karpus, J., Ajiboye, I.
Deposit date:2015-01-30
Release date:2016-09-14
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure of chromate bound ModA from E.coli at 1.43 Angstroms resolution.
To Be Published
5E8S
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TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (WT)
Descriptor:TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2015-10-14
Release date:2016-05-11
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8X
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TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F) IN COMPLEX WITH STAUROSPORINE
Descriptor:TGF-beta receptor type-1, STAUROSPORINE, GLYCEROL
Authors:Sheriff, S.
Deposit date:2015-10-14
Release date:2016-05-11
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
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
5C1U
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CRYSTAL STRUCTURE OF EV71 3C PROTEINASE IN COMPLEX WITH COMPOUND XB
Descriptor:3C proteinase, Nalpha-{(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
Authors:Zhang, L., Huang, G., Cai, Q., Zhao, C., Ren, H., Li, P., Li, N., Chen, S., Li, J., Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5HDZ
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BACE-1 IN COMPLEX WITH (7AR)-7A-(5-CYANOTHIOPHEN-2-YL)-6-(5-FLUORO-4-METHYL-6-(METHYLTHIO)PYRIMIDIN-2-YL)-3-METHYL-4-OXOOCTAHYDRO-2H-PYRROLO[3,4-D]PYRIMIDIN-2-IMINIUM
Descriptor:Beta-secretase 1, 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile
Authors:Orth, P.
Deposit date:2016-01-05
Release date:2016-03-16
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016