3DTU
 
 | | Catalytic core subunits (I and II) of cytochrome c oxidase from Rhodobacter sphaeroides complexed with deoxycholic acid | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, CADMIUM ION, CALCIUM ION, ... | | Authors: | Qin, L, Mills, D.A, Buhrow, L, Hiser, C, Ferguson-Miller, S. | | Deposit date: | 2008-07-15 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A conserved steroid binding site in cytochrome C oxidase.
Biochemistry, 47, 2008
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4RWS
 | | Crystal structure of CXCR4 and viral chemokine antagonist vMIP-II complex (PSI Community Target) | | Descriptor: | C-X-C chemokine receptor type 4/Endolysin chimeric protein, Viral macrophage inflammatory protein 2 | | Authors: | Qin, L, Kufareva, I, Holden, L, Wang, C, Zheng, Y, Wu, H, Fenalti, G, Han, G.W, Cherezov, V, Abagyan, R, Stevens, R.C, Handel, T.M, GPCR Network (GPCR) | | Deposit date: | 2014-12-05 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural biology. Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine.
Science, 347, 2015
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3FYI
 | | Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides in the reduced state bound with cyanide | | Descriptor: | CADMIUM ION, CALCIUM ION, COPPER (I) ION, ... | | Authors: | Qin, L, Mills, D.A, Proshlyakov, D.A, Hiser, C, Ferguson-Miller, S. | | Deposit date: | 2009-01-22 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Redox dependent conformational changes in cytochrome c oxidase suggest a gating mechanism for proton uptake.
Biochemistry, 48, 2009
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3FYE
 | | Catalytic core subunits (I and II) of cytochrome c oxidase from Rhodobacter sphaeroides in the reduced state | | Descriptor: | CADMIUM ION, CALCIUM ION, COPPER (I) ION, ... | | Authors: | Qin, L, Mills, D.A, Proshlyakov, D.A, Hiser, C, Ferguson-Miller, S. | | Deposit date: | 2009-01-22 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Redox dependent conformational changes in cytochrome c oxidase suggest a gating mechanism for proton uptake.
Biochemistry, 48, 2009
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5COA
 | | Crystal structure of iridoid synthase at 2.2-angstrom resolution | | Descriptor: | HEXAETHYLENE GLYCOL, Iridoid synthase, SULFATE ION | | Authors: | Qin, L, Zhu, Y, Ding, Z, Zhang, X, Ye, S, Zhang, R. | | Deposit date: | 2015-07-20 | | Release date: | 2016-03-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of iridoid synthase in complex with NADP(+)/8-oxogeranial reveals the structural basis of its substrate specificity.
J.Struct.Biol., 194, 2016
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5COB
 | | Crystal structure of iridoid synthase in complex with NADP+ and 8-oxogeranial at 2.65-angstrom resolution | | Descriptor: | (2E,6E)-2,6-dimethylocta-2,6-dienedial, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Qin, L, Zhu, Y, Ding, Z, Zhang, X, Ye, S, Zhang, R. | | Deposit date: | 2015-07-20 | | Release date: | 2016-03-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of iridoid synthase in complex with NADP(+)/8-oxogeranial reveals the structural basis of its substrate specificity.
J.Struct.Biol., 194, 2016
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3PFX
 | | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellobiose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiohydrolase 1 catalytic domain, SULFATE ION, ... | | Authors: | Qin, L, Pereira, J.H, McAndrew, R.P, Simmons, B.A, Sapra, R, Adams, P.D, Sale, K.L. | | Deposit date: | 2010-10-29 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.2616 Å) | | Cite: | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellobiose
TO BE PUBLISHED
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3PFZ
 | | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiohydrolase 1 catalytic domain, SULFATE ION, ... | | Authors: | Qin, L, Pereira, J.H, McAndrew, R.P, Simmons, B.A, Sapra, R, Adams, P.D, Sale, K.L. | | Deposit date: | 2010-10-29 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.0993 Å) | | Cite: | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose
TO BE PUBLISHED
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2GSM
 | | Catalytic Core (Subunits I and II) of Cytochrome c oxidase from Rhodobacter sphaeroides | | Descriptor: | CADMIUM ION, CALCIUM ION, COPPER (II) ION, ... | | Authors: | Qin, L, Hiser, C, Mulichak, A, Garavito, R.M, Ferguson-Miller, S. | | Deposit date: | 2006-04-26 | | Release date: | 2006-10-10 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of conserved lipid/detergent-binding sites in a high-resolution structure of the membrane protein cytochrome c oxidase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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6BDL
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6BG2
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6C0T
 | | Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain bound with N46 | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide, TRIETHYLENE GLYCOL, ... | | Authors: | Qin, L, Sankaran, B, Kim, C. | | Deposit date: | 2018-01-02 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural basis for selective inhibition of human PKG I alpha by the balanol-like compound N46.
J. Biol. Chem., 293, 2018
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6C0U
 | | Crystal structure of cAMP-dependent protein kinase Calpha subunit bound with N46 | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide, PHOSPHATE ION, ... | | Authors: | Qin, L, Sankaran, B, Kim, C. | | Deposit date: | 2018-01-02 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for selective inhibition of human PKG I alpha by the balanol-like compound N46.
J. Biol. Chem., 293, 2018
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7W6K
 | | Cryo-EM structure of GmALMT12/QUAC1 anion channel | | Descriptor: | GmALMT12/QUAC1 | | Authors: | Qin, L, Tang, L.H, Xu, J.S, Zhang, X.H, Zhu, Y, Sun, F, Su, M, Zhai, Y.J, Chen, Y.H. | | Deposit date: | 2021-12-01 | | Release date: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structure and electrophysiological characterization of ALMT from Glycine max reveal a previously uncharacterized class of anion channels.
Sci Adv, 8, 2022
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8HF2
 | | Cryo-EM structure of WeiTsing | | Descriptor: | PRA1 family protein | | Authors: | Qin, L, Tang, L.H, Chen, Y.H. | | Deposit date: | 2022-11-09 | | Release date: | 2023-06-21 | | Method: | ELECTRON MICROSCOPY (4.14 Å) | | Cite: | WeiTsing, a pericycle-expressed ion channel, safeguards the stele to confer clubroot resistance.
Cell, 186, 2023
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7L4U
 | | Crystal structure of human monoacylglycerol lipase in complex with compound 1h | | Descriptor: | (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one, CHLORIDE ION, Monoglyceride lipase | | Authors: | Qin, L, Lane, W, Skene, R.J, Dougan, D. | | Deposit date: | 2020-12-21 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
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7L4W
 | | Crystal structure of human monoacylglycerol lipase in complex with compound 2d | | Descriptor: | (2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, Monoglyceride lipase | | Authors: | Qin, L, Gay, S.C, Lane, W, Skene, R.J. | | Deposit date: | 2020-12-21 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
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7L4T
 | | Crystal structure of human monoacylglycerol lipase in complex with compound 1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one, ACETATE ION, ... | | Authors: | Qin, L, Gay, S.C, Lane, W, Skene, R.J. | | Deposit date: | 2020-12-21 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
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7L50
 | | Crystal structure of human monoacylglycerol lipase in complex with compound 4f | | Descriptor: | (2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, ACETATE ION, Monoglyceride lipase | | Authors: | Qin, L, Lane, W, Skene, R.J. | | Deposit date: | 2020-12-21 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
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5URK
 | | Crystal structure of human BRR2 in complex with T-3935799 | | Descriptor: | 6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase | | Authors: | Qin, L, Tjhen, R, Klein, M.G. | | Deposit date: | 2017-02-10 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
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4R4L
 | | Crystal structure of wt cGMP dependent protein kinase I alpha (PKGI alpha) leucine zipper | | Descriptor: | HEXANE-1,6-DIOL, SULFATE ION, cGMP-dependent protein kinase 1 | | Authors: | Reger, A.S, Guo, E, Yang, M.P, Qin, L, Kim, C. | | Deposit date: | 2014-08-19 | | Release date: | 2015-09-23 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.245 Å) | | Cite: | Structures of cGMP-Dependent Protein Kinase (PKG) I alpha Leucine Zippers Reveal an Interchain Disulfide Bond Important for Dimer Stability.
Biochemistry, 54, 2015
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4R4M
 | | Crystal structure of C42L cGMP dependent protein kinase I alpha (PKGI alpha) leucine zipper | | Descriptor: | SULFATE ION, cGMP-dependent protein kinase 1 | | Authors: | Reger, A.S, Guo, E, Yang, M.P, Qin, L, Kim, C. | | Deposit date: | 2014-08-19 | | Release date: | 2015-09-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Structures of cGMP-Dependent Protein Kinase (PKG) I alpha Leucine Zippers Reveal an Interchain Disulfide Bond Important for Dimer Stability.
Biochemistry, 54, 2015
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5T1A
 | | Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one, (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one, ... | | Authors: | Zheng, Y, Qin, L, Ortiz Zacarias, N.V, de Vries, H, Han, G.W, Gustavsson, M, Dabros, M, Zhao, C, Cherney, R.J, Carter, P, Stamos, D, Abagyan, R, Cherezov, V, Stevens, R.C, IJzerman, A.P, Heitman, L.H, Tebben, A, Kufareva, I, Handel, T.M. | | Deposit date: | 2016-08-18 | | Release date: | 2016-12-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.806 Å) | | Cite: | Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists.
Nature, 540, 2016
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1BXD
 | | NMR STRUCTURE OF THE HISTIDINE KINASE DOMAIN OF THE E. COLI OSMOSENSOR ENVZ | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROTEIN (OSMOLARITY SENSOR PROTEIN (ENVZ)) | | Authors: | Tanaka, T, Saha, S.K, Tomomori, C, Ishima, R, Liu, D, Tong, K.I, Park, H, Dutta, R, Qin, L, Swindells, M.B, Yamazaki, T, Ono, A.M, Kainosho, M, Inouye, M, Ikura, M. | | Deposit date: | 1998-10-02 | | Release date: | 1999-10-02 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the histidine kinase domain of the E. coli osmosensor EnvZ.
Nature, 396, 1998
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5HXF
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