8XW2
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8XW3
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8XAJ
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![BU of 8xaj by Molmil](/molmil-images/mine/8xaj) | Cryo-EM structure of OSCA1.2-liposome-inside-in open state | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Calcium permeable stress-gated cation channel 1 | Authors: | Zhang, Y, Han, Y. | Deposit date: | 2023-12-04 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Mechanical activation opens a lipid-lined pore in OSCA ion channels. Nature, 628, 2024
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7K65
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![BU of 7k65 by Molmil](/molmil-images/mine/7k65) | Hedgehog receptor Patched (PTCH1) in complex with conformation selective nanobody TI23 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | Authors: | Zhang, Y, Bulkley, D.P, Liang, J, Manglik, A, Cheng, Y, Beachy, P.A. | Deposit date: | 2020-09-18 | Release date: | 2021-03-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Hedgehog pathway activation through nanobody-mediated conformational blockade of the Patched sterol conduit. Proc.Natl.Acad.Sci.USA, 117, 2020
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7T1F
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![BU of 7t1f by Molmil](/molmil-images/mine/7t1f) | Crystal structure of GDP-bound T50I mutant of human KRAS4B | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2021-12-01 | Release date: | 2022-12-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional analyses of a germline KRAS T50I mutation provide insights into Raf activation. JCI Insight, 8, 2023
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5WMA
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![BU of 5wma by Molmil](/molmil-images/mine/5wma) | N-terminal bromodomain of BRD4 in complex with PLX5981 | Descriptor: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4 | Authors: | Zhang, Y. | Deposit date: | 2017-07-28 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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6DS6
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3PEF
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5LQ6
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![BU of 5lq6 by Molmil](/molmil-images/mine/5lq6) | Salmonella effector SpvD - R161 variant | Descriptor: | SODIUM ION, Virulence protein vsdE | Authors: | Zhang, Y, Grabe, G.J, Rolhion, N, Yang, Y, Holden, D.W, Hare, S.A. | Deposit date: | 2016-08-16 | Release date: | 2016-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence. J. Biol. Chem., 291, 2016
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3NTP
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![BU of 3ntp by Molmil](/molmil-images/mine/3ntp) | Human Pin1 complexed with reduced amide inhibitor | Descriptor: | (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Zhang, Y. | Deposit date: | 2010-07-05 | Release date: | 2012-01-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | A reduced-amide inhibitor of Pin1 binds in a conformation resembling a twisted-amide transition state. Biochemistry, 50, 2011
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1RC0
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![BU of 1rc0 by Molmil](/molmil-images/mine/1rc0) | Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid | Descriptor: | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE | Authors: | Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A. | Deposit date: | 2003-11-03 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Human GAR Tfase complex structure To be Published
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1RBM
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![BU of 1rbm by Molmil](/molmil-images/mine/1rbm) | Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid | Descriptor: | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID, PHOSPHATE ION, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE | Authors: | Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A. | Deposit date: | 2003-11-03 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human GAR Tfase complex structure To be Published
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1TZ3
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![BU of 1tz3 by Molmil](/molmil-images/mine/1tz3) | crystal structure of aminoimidazole riboside kinase complexed with aminoimidazole riboside | Descriptor: | 5-AMINOIMIDAZOLE RIBONUCLEOSIDE, POTASSIUM ION, putative sugar kinase | Authors: | Zhang, Y, Dougherty, M, Downs, D.M, Ealick, S.E. | Deposit date: | 2004-07-09 | Release date: | 2004-10-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of an Aminoimidazole Riboside Kinase from Salmonella enterica; Implications for the Evolution of the Ribokinase Superfamily STRUCTURE, 12, 2004
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6B40
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![BU of 6b40 by Molmil](/molmil-images/mine/6b40) | BbRAGL-3'TIR synaptic complex with nicked DNA refined with C2 symmetry | Descriptor: | 31TIR intact strand, 31TIR pre-nicked strand of flanking DNA, 31TIR pre-nicked strand of signal DNA, ... | Authors: | Zhang, Y, Cheng, T.C, Xiong, Y, Schatz, D.G. | Deposit date: | 2017-09-25 | Release date: | 2019-03-20 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Transposon molecular domestication and the evolution of the RAG recombinase. Nature, 569, 2019
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1RC1
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![BU of 1rc1 by Molmil](/molmil-images/mine/1rc1) | Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid | Descriptor: | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID, PHOSPHATE ION, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE | Authors: | Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A. | Deposit date: | 2003-11-03 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Human GAR Tfase complex structure To be Published
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1U7D
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1TYY
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![BU of 1tyy by Molmil](/molmil-images/mine/1tyy) | Crystal structure of aminoimidazole riboside kinase from Salmonella enterica | Descriptor: | POTASSIUM ION, putative sugar kinase | Authors: | Zhang, Y, Dougherty, M, Downs, D.M, Ealick, S.E. | Deposit date: | 2004-07-08 | Release date: | 2004-10-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of an Aminoimidazole Riboside Kinase from Salmonella enterica; Implications for the Evolution of the Ribokinase Superfamily STRUCTURE, 12, 2004
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1TZ6
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![BU of 1tz6 by Molmil](/molmil-images/mine/1tz6) | Crystal structure of aminoimidazole riboside kinase from Salmonella enterica complexed with aminoimidazole riboside and ATP analog | Descriptor: | 5-AMINOIMIDAZOLE RIBONUCLEOSIDE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Zhang, Y, Dougherty, M, Downs, D.M, Ealick, S.E. | Deposit date: | 2004-07-09 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of an Aminoimidazole Riboside Kinase from Salmonella enterica; Implications for the Evolution of the Ribokinase Superfamily STRUCTURE, 12, 2004
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1U7X
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![BU of 1u7x by Molmil](/molmil-images/mine/1u7x) | crystal structure of a mutant M. jannashii tyrosyl-tRNA synthetase specific for O-methyl-tyrosine | Descriptor: | POTASSIUM ION, Tyrosyl-tRNA synthetase | Authors: | Zhang, Y, Wang, L, Schultz, P.G, Wilson, I.A. | Deposit date: | 2004-08-04 | Release date: | 2005-05-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of apo wild-type M. jannaschii tyrosyl-tRNA synthetase (TyrRS) and an engineered TyrRS specific for O-methyl-L-tyrosine. Protein Sci., 14, 2005
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1RBQ
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![BU of 1rbq by Molmil](/molmil-images/mine/1rbq) | Human GAR Tfase complex structure with 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid | Descriptor: | N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID, PHOSPHATE ION, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE | Authors: | Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A. | Deposit date: | 2003-11-03 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Human GAR Tfase complex structure with polyglutamated
10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid To be Published
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1RBY
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![BU of 1rby by Molmil](/molmil-images/mine/1rby) | Human GAR Tfase complex structure with 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid and substrate beta-GAR | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE | Authors: | Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A. | Deposit date: | 2003-11-03 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Human GAR Tfase complex structure To be Published
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1T8W
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5GSN
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![BU of 5gsn by Molmil](/molmil-images/mine/5gsn) | Tmm in complex with methimazole | Descriptor: | 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, ... | Authors: | Zhang, Y.Z, Li, C.Y. | Deposit date: | 2016-08-16 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide Mol. Microbiol., 103, 2017
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3PWM
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![BU of 3pwm by Molmil](/molmil-images/mine/3pwm) | HIV-1 Protease Mutant L76V with Darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, CHLORIDE ION, ... | Authors: | Zhang, Y, Weber, I.T. | Deposit date: | 2010-12-08 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | The L76V Drug Resistance Mutation Decreases the Dimer Stability and Rate of Autoprocessing of HIV-1 Protease by Reducing Internal Hydrophobic Contacts. Biochemistry, 50, 2011
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1RBZ
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![BU of 1rbz by Molmil](/molmil-images/mine/1rbz) | Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid | Descriptor: | N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID, PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE | Authors: | Zhang, Y, Desharnais, J, Boger, D.L, Wilson, I.A. | Deposit date: | 2003-11-03 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human GAR Tfase complex structure To be Published
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