7WRX
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![BU of 7wrx by Molmil](/molmil-images/mine/7wrx) | Structure of Deinococcus radiodurans HerA-ADP complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HerA, MAGNESIUM ION | Authors: | Cheng, K. | Deposit date: | 2022-01-27 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.40003562 Å) | Cite: | Structural and DNA end resection study of the bacterial NurA-HerA complex. Bmc Biol., 21, 2023
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7WRW
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![BU of 7wrw by Molmil](/molmil-images/mine/7wrw) | Structure of Deinococcus radiodurans HerA | Descriptor: | HerA | Authors: | Cheng, K. | Deposit date: | 2022-01-27 | Release date: | 2023-02-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.00008273 Å) | Cite: | Structural and DNA end resection study of the bacterial NurA-HerA complex. Bmc Biol., 21, 2023
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1Q4K
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![BU of 1q4k by Molmil](/molmil-images/mine/1q4k) | The polo-box domain of Plk1 in complex with a phospho-peptide | Descriptor: | Phospho-peptide sequence Met.Gln.Ser.pThr.Pro.Leu, Serine/threonine-protein kinase PLK | Authors: | Cheng, K, Lowe, E.D, Sinclair, J, Nigg, E.A, Johnson, L.N. | Deposit date: | 2003-08-04 | Release date: | 2003-11-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of the human polo-like kinase-1 polo box domain and its phospho-peptide complex. Embo J., 22, 2003
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2YKR
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![BU of 2ykr by Molmil](/molmil-images/mine/2ykr) | 30S ribosomal subunit with RsgA bound in the presence of GMPPNP | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Guo, Q, Yuan, Y, Xu, Y, Feng, B, Liu, L, Chen, K, Lei, J, Gao, N. | Deposit date: | 2011-05-30 | Release date: | 2011-08-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (9.8 Å) | Cite: | Structural Basis for the Function of a Small Gtpase Rsga on the 30S Ribosomal Subunit Maturation Revealed by Cryoelectron Microscopy. Proc.Natl.Acad.Sci.USA, 108, 2011
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7LHV
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![BU of 7lhv by Molmil](/molmil-images/mine/7lhv) | Structure of Arabidopsis thaliana sulfate transporter AtSULTR4;1 | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SULFATE ION, ... | Authors: | Wang, L, Chen, K, Zhou, M. | Deposit date: | 2021-01-26 | Release date: | 2021-08-11 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Structure and function of an Arabidopsis thaliana sulfate transporter. Nat Commun, 12, 2021
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1Q09
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![BU of 1q09 by Molmil](/molmil-images/mine/1q09) | Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator (space group I4122) | Descriptor: | SULFATE ION, ZINC ION, Zn(II)-responsive regulator of zntA | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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1Q06
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![BU of 1q06 by Molmil](/molmil-images/mine/1q06) | Crystal structure of the Ag(I) form of E. coli CueR, a copper efflux regulator | Descriptor: | SILVER ION, Transcriptional regulator cueR | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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1Q0A
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![BU of 1q0a by Molmil](/molmil-images/mine/1q0a) | Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator (space group C222) | Descriptor: | SULFATE ION, ZINC ION, Zn(II)-responsive regulator of zntA | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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1Q05
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![BU of 1q05 by Molmil](/molmil-images/mine/1q05) | Crystal structure of the Cu(I) form of E. coli CueR, a copper efflux regulator | Descriptor: | COPPER (I) ION, Transcriptional regulator cueR | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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1Q08
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![BU of 1q08 by Molmil](/molmil-images/mine/1q08) | Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator, at 1.9 A resolution (space group P212121) | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ... | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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1Q07
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![BU of 1q07 by Molmil](/molmil-images/mine/1q07) | Crystal structure of the Au(I) form of E. coli CueR, a copper efflux regulator | Descriptor: | GOLD ION, Transcriptional regulator cueR | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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5IE1
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![BU of 5ie1 by Molmil](/molmil-images/mine/5ie1) | Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide | Descriptor: | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T. | Deposit date: | 2016-02-24 | Release date: | 2016-03-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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4MSU
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![BU of 4msu by Molmil](/molmil-images/mine/4msu) | Human GKRP bound to AMG-6861 and Sorbitol-6-phosphate | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | Authors: | Ashton, K.S, Andrews, K.L, Bryan, M.C, Chen, J, Chen, K, Chen, M, Chmait, S, Croghan, M, Cupples, R, Fotsch, C, Helmering, J, Jordan, S.R, Kurzeja, R.J, Michelsen, K, Pennington, L.D, Poon, S.F, Sivits, G, Van, G, Vonderfecht, S.L, Wahl, R.C, Zhang, J, Lloyd, D.J, Hale, C, St Jean, D.J. | Deposit date: | 2013-09-18 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 1. Discovery of a Novel Tool Compound for in Vivo Proof-of-Concept. J.Med.Chem., 57, 2014
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4HQP
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![BU of 4hqp by Molmil](/molmil-images/mine/4hqp) | Alpha7 nicotinic receptor chimera and its complex with Alpha bungarotoxin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-bungarotoxin isoform V31, ... | Authors: | Li, S.X, Cheng, K, Gomoto, R, Bren, N, Huang, S, Sine, S, Chen, L. | Deposit date: | 2012-10-25 | Release date: | 2013-07-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | Structural principles for Alpha-neurotoxin binding to and selectivity among nicotinic receptors To be Published
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4FZ3
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![BU of 4fz3 by Molmil](/molmil-images/mine/4fz3) | Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ... | Authors: | Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H. | Deposit date: | 2012-07-06 | Release date: | 2013-03-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate J.Med.Chem., 56, 2013
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2A4G
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![BU of 2a4g by Molmil](/molmil-images/mine/2a4g) | Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | Descriptor: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | Authors: | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | Deposit date: | 2005-06-28 | Release date: | 2006-07-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency. Bioorg.Med.Chem.Lett., 15, 2005
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1B0T
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![BU of 1b0t by Molmil](/molmil-images/mine/1b0t) | D15K/K84D MUTANT OF AZOTOBACTER VINELANDII FDI | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (FERREDOXIN I) | Authors: | Sridhar, V, Stout, C.D, Chen, K, Kemper, M.A, Burgess, B.K. | Deposit date: | 1998-11-12 | Release date: | 1998-11-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the D15K/K84D Mutant of Azotobacter Vinelandii Ferredoxin I To be Published
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1B0V
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![BU of 1b0v by Molmil](/molmil-images/mine/1b0v) | I40N MUTANT OF AZOTOBACTER VINELANDII FDI | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (FERREDOXIN) | Authors: | Sridhar, V, Prasad, G.S, Stout, C.D, Chen, K, Burgess, B.K. | Deposit date: | 1998-11-12 | Release date: | 2000-01-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Alteration of the reduction potential of the [4Fe-4S](2+/+) cluster of Azotobacter vinelandii ferredoxin I. J.Biol.Chem., 274, 1999
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4P3O
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![BU of 4p3o by Molmil](/molmil-images/mine/4p3o) | Structural Basis for Full-Spectrum Inhibition of Threonyl-tRNA Synthetase by Borrelidin 2 | Descriptor: | (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid, GLYCEROL, Threonine--tRNA ligase, ... | Authors: | Fang, P, Yu, X, Chen, K, Chen, X, Guo, M. | Deposit date: | 2014-03-09 | Release date: | 2015-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.505 Å) | Cite: | Structural basis for full-spectrum inhibition of translational functions on a tRNA synthetase. Nat Commun, 6, 2015
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4P3P
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![BU of 4p3p by Molmil](/molmil-images/mine/4p3p) | Structural Basis for Full-Spectrum Inhibition of Threonyl-tRNA Synthetase by Borrelidin 3 | Descriptor: | (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid, GLYCEROL, Threonine--tRNA ligase, ... | Authors: | Fang, P, Yu, X, Chen, K, Chen, X, Guo, M. | Deposit date: | 2014-03-09 | Release date: | 2015-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for full-spectrum inhibition of translational functions on a tRNA synthetase. Nat Commun, 6, 2015
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2KEM
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![BU of 2kem by Molmil](/molmil-images/mine/2kem) | Extended structure of citidine deaminase domain of APOBEC3G | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION | Authors: | Harjes, E, Gross, P.J, Chen, K, Lu, Y, Shindo, K, Nowarski, R, Gross, J.D, Kotler, M, Harris, R.S, Matsuo, H. | Deposit date: | 2009-01-30 | Release date: | 2009-06-02 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | An extended structure of the APOBEC3G catalytic domain suggests a unique holoenzyme model J.Mol.Biol., 389, 2009
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4P3N
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![BU of 4p3n by Molmil](/molmil-images/mine/4p3n) | Structural Basis for Full-Spectrum Inhibition of Threonyl-tRNA Synthetase by Borrelidin 1 | Descriptor: | (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid, Threonine--tRNA ligase, cytoplasmic, ... | Authors: | Fang, P, Yu, X, Chen, K, Chen, X, Guo, M. | Deposit date: | 2014-03-09 | Release date: | 2015-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for full-spectrum inhibition of translational functions on a tRNA synthetase. Nat Commun, 6, 2015
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7TAK
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![BU of 7tak by Molmil](/molmil-images/mine/7tak) | Structure of a NAT transporter | Descriptor: | GUANINE, Putative membrane protein PurT | Authors: | Weng, J, Zhou, X, Ren, Z, Chen, K, Zhou, M. | Deposit date: | 2021-12-21 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.79828 Å) | Cite: | Structure of a NAT transporter To Be Published
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5HH9
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![BU of 5hh9 by Molmil](/molmil-images/mine/5hh9) | Structure of PvdN from Pseudomonas aeruginosa | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, PvdN | Authors: | Xia, H, Bai, G, Liu, S, Li, N, Xu, S, Chen, K, Yao, Q, Gu, L. | Deposit date: | 2016-01-10 | Release date: | 2017-01-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural and Biochemical Characterization of a Novel L-Cystine Desulfurase involved in the biosynthesis of the major siderophore pyoverdine in Pseudomonas aeruginosa To Be Published
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4JII
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![BU of 4jii by Molmil](/molmil-images/mine/4jii) | Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | Deposit date: | 2013-03-06 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111). Febs Lett., 587, 2013
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