2MIV
 
 | | NMR studies of N2-guanine adducts derived from the tumorigen dibenzo[a,l]pyrene in DNA: Impact of adduct stereochemistry, size, and local DNA structure on solution conformations | | Descriptor: | (11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA_(5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA_(5'-D(*GP*GP*TP*AP*GP*GP*AP*TP*GP*G)-3') | | Authors: | Rodriguez, F.A, Liu, Z, Lin, C.H, Ding, S, Cai, Y, Kolbanovskiy, A, Kolbanovskiy, M, Amin, S, Broyde, S, Geacintov, N.E. | | Deposit date: | 2013-12-20 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Nuclear Magnetic Resonance Studies of an N(2)-Guanine Adduct Derived from the Tumorigen Dibenzo[a,l]pyrene in DNA: Impact of Adduct Stereochemistry, Size, and Local DNA Sequence on Solution Conformations.
Biochemistry, 53, 2014
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3SPK
 | | Tipranavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | | Descriptor: | HIV-1 protease, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE | | Authors: | Wang, Y, Liu, Z, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2011-07-01 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
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3QPD
 | | Structure of Aspergillus oryzae cutinase expressed in Pichia pastoris, crystallized in the presence of Paraoxon | | Descriptor: | Cutinase 1 | | Authors: | Lu, A, Gosser, Y, Montclare, J.K, Liu, Z, Kong, X. | | Deposit date: | 2011-02-11 | | Release date: | 2012-02-29 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | Structure of Aspergillus oryzae cutinase expressed in Pichia pastoris, crystallized in the presence of Paraoxon
To be Published
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3QPA
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3QPC
 | | Structure of Fusarium Solani Cutinase expressed in Pichia pastoris, crystallized in the presence of Paraoxon | | Descriptor: | Cutinase | | Authors: | Lu, A, Gosser, Y, Montclare, J.K, Liu, Z, Kong, X. | | Deposit date: | 2011-02-11 | | Release date: | 2012-02-29 | | Method: | X-RAY DIFFRACTION (0.978 Å) | | Cite: | Structure of Fusarium Solani Cutinase expressed in Pichia pastoris
To be Published
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3R0W
 | | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors. | | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | | Deposit date: | 2011-03-09 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
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3R0Y
 | | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors | | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | | Deposit date: | 2011-03-09 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
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3SO9
 | | Darunavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease | | Authors: | Wang, Y, Liu, Z, Brunzelle, S.J, Kovari, L.C, Kovari, I.A. | | Deposit date: | 2011-06-30 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
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4AOJ
 | | Human TrkA in complex with the inhibitor AZ-23 | | Descriptor: | 5-chloranyl-N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR, ZINC ION | | Authors: | Wang, T, Lamb, M.L, Block, M.H, Davies, A.M, Han, Y, Hoffmann, E, Ioannidis, S, Josey, J.A, Liu, Z, Lyne, P.D, MacIntyre, T, Mohr, P.J, Omer, C.A, Sjogren, T, Thress, K, Wang, B, Wang, H, Yu, D, Zhang, H. | | Deposit date: | 2012-03-28 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery of Disubstituted Imidazo[4,5-B]Pyridines and Purines as Potent Trka Inhibitors
Acs Med.Chem.Lett., 3, 2012
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6BZ9
 | | Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK | | Descriptor: | Ac-FLTD-CMK, Caspase-1, DI(HYDROXYETHYL)ETHER | | Authors: | Xiao, T.S, Yang, J, Liu, Z, Wang, C, Yang, R. | | Deposit date: | 2017-12-22 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Mechanism of gasdermin D recognition by inflammatory caspases and their inhibition by a gasdermin D-derived peptide inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YIK
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7D3Y
 | | Crystal structure of the osPHR2-osSPX2 complex | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 2,Isoform 1 of Core histone macro-H2A.1 | | Authors: | Zhang, Q.X, Guan, Z.Y, Zuo, J.Q, Zhang, Z.F, Liu, Z. | | Deposit date: | 2020-09-21 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
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7D3T
 | | Crystal structure of OSPHR2 in complex with DNA | | Descriptor: | DNA (5'-D(P*CP*TP*CP*GP*GP*AP*TP*AP*TP*CP*CP*TP*CP*AP*AP*G)-3'), DNA (5'-D(P*GP*CP*TP*TP*GP*AP*GP*GP*AP*TP*AP*TP*CP*CP*GP*A)-3'), Protein PHOSPHATE STARVATION RESPONSE 2 | | Authors: | Guan, Z.Y, Zhang, Z.F, Liu, Z. | | Deposit date: | 2020-09-20 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
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4GXL
 | | The crystal structure of Galectin-8 C-CRD in complex with NDP52 | | Descriptor: | GLYCEROL, Galectin-8, Peptide from Calcium-binding and coiled-coil domain-containing protein 2 | | Authors: | Li, S, Wandel, M.P, Li, F, Liu, Z, He, C, Wu, J, Shi, Y, Randow, F. | | Deposit date: | 2012-09-04 | | Release date: | 2013-05-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.023 Å) | | Cite: | Sterical hindrance promotes selectivity of the autophagy cargo receptor NDP52 for the danger receptor galectin-8 in antibacterial autophagy
Sci.Signal., 6, 2013
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4I3K
 | | Crystal structure of a metabolic reductase with 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one | | Descriptor: | 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | | Deposit date: | 2012-11-26 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3056 Å) | | Cite: | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
ACS Med Chem Lett, 4, 2013
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4I3L
 | | Crystal structure of a metabolic reductase with 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one | | Descriptor: | 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y. | | Deposit date: | 2012-11-26 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.292 Å) | | Cite: | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
ACS Med Chem Lett, 4, 2013
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4IX3
 | | Crystal structure of a Stt7 homolog from Micromonas algae | | Descriptor: | MAGNESIUM ION, MsStt7d protein | | Authors: | Guo, J, Wei, X, Li, M, Pan, X, Chang, W, Liu, Z. | | Deposit date: | 2013-01-24 | | Release date: | 2013-10-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of the catalytic domain of a state transition kinase homolog from Micromonas algae
Protein Cell, 4, 2013
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4IX5
 | | Crystal structure of a Stt7 homolog from Micromonas algae in complex with AMP-PNP | | Descriptor: | MAGNESIUM ION, MsStt7d protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Guo, J, Wei, X, Li, M, Pan, X, Chang, W, Liu, Z. | | Deposit date: | 2013-01-24 | | Release date: | 2013-10-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the catalytic domain of a state transition kinase homolog from Micromonas algae
Protein Cell, 4, 2013
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4IX6
 | | Crystal structure of a Stt7 homolog from Micromonas algae soaked with ATP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MsStt7d protein | | Authors: | Guo, J, Wei, X, Li, M, Pan, X, Chang, W, Liu, Z. | | Deposit date: | 2013-01-24 | | Release date: | 2013-10-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the catalytic domain of a state transition kinase homolog from Micromonas algae
Protein Cell, 4, 2013
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4IX4
 | | Crystal structure of a Stt7 homolog from Micromonas algae in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MsStt7d protein | | Authors: | Guo, J, Wei, X, Li, M, Pan, X, Chang, W, Liu, Z. | | Deposit date: | 2013-01-24 | | Release date: | 2013-10-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Structure of the catalytic domain of a state transition kinase homolog from Micromonas algae
Protein Cell, 4, 2013
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8VQ4
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | | Descriptor: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | Deposit date: | 2024-01-17 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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8VQ3
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | | Descriptor: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | Deposit date: | 2024-01-17 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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7YCA
 | | Cryo-EM structure of the PSI-LHCI-Lhcp supercomplex from Ostreococcus tauri | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z. | | Deposit date: | 2022-07-01 | | Release date: | 2023-04-26 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
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8KFA
 | | Cryo-EM structure of HSV-1 gB with D48 Fab complex | | Descriptor: | D48 heavy chain, D48 light chain, Envelope glycoprotein B | | Authors: | Yang, J, Sun, C, Fang, X, Zeng, M, Liu, Z. | | Deposit date: | 2023-08-15 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | The structure of HSV-1 gB bound to a potent neutralizing antibody reveals a conservative antigenic domain across herpesviruses
hlife, 2023
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5YQG
 | | The structure of 14-3-3 and pNumb peptide | | Descriptor: | 14-3-3 protein eta, Peptide from Protein numb homolog | | Authors: | Chen, X, Liu, Z, Wen, W. | | Deposit date: | 2017-11-06 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural determinants controlling 14-3-3 recruitment to the endocytic adaptor Numb and dissociation of the Numb/alpha-adaptin complex.
J. Biol. Chem., 293, 2018
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