3DTU
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![BU of 3dtu by Molmil](/molmil-images/mine/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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3FYI
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![BU of 3fyi by Molmil](/molmil-images/mine/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
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![BU of 3fye by Molmil](/molmil-images/mine/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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5COB
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![BU of 5cob by Molmil](/molmil-images/mine/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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5COA
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![BU of 5coa by Molmil](/molmil-images/mine/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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2GSM
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![BU of 2gsm by Molmil](/molmil-images/mine/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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7L50
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![BU of 7l50 by Molmil](/molmil-images/mine/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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3PFX
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![BU of 3pfx by Molmil](/molmil-images/mine/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
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![BU of 3pfz by Molmil](/molmil-images/mine/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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7L4W
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![BU of 7l4w by Molmil](/molmil-images/mine/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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7L4U
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![BU of 7l4u by Molmil](/molmil-images/mine/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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7L4T
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![BU of 7l4t by Molmil](/molmil-images/mine/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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6BG2
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![BU of 6bg2 by Molmil](/molmil-images/mine/6bg2) | |
4RWS
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![BU of 4rws by Molmil](/molmil-images/mine/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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5URK
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![BU of 5urk by Molmil](/molmil-images/mine/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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6C0U
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![BU of 6c0u by Molmil](/molmil-images/mine/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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6C0T
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![BU of 6c0t by Molmil](/molmil-images/mine/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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6BDL
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![BU of 6bdl by Molmil](/molmil-images/mine/6bdl) | |
7F7X
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![BU of 7f7x by Molmil](/molmil-images/mine/7f7x) | |
3PL3
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![BU of 3pl3 by Molmil](/molmil-images/mine/3pl3) | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellopentaose | 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: | 2010-11-12 | Release date: | 2011-12-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1804 Å) | Cite: |
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3PFJ
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![BU of 3pfj by Molmil](/molmil-images/mine/3pfj) | Crystal structure of Cel7A from Talaromyces emersonii | 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: | 2010-10-28 | Release date: | 2011-11-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3611 Å) | Cite: |
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7W6K
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![BU of 7w6k by Molmil](/molmil-images/mine/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 | Last modified: | 2024-06-26 | 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
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![BU of 8hf2 by Molmil](/molmil-images/mine/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 | Last modified: | 2024-07-03 | 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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5HXG
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![BU of 5hxg by Molmil](/molmil-images/mine/5hxg) | STM1697-FlhD complex | Descriptor: | Flagellar transcriptional regulator FlhD, Uncharacterized protein STM1697 | Authors: | Li, B, Yuan, Z, Qin, L, Gu, L. | Deposit date: | 2016-01-30 | Release date: | 2017-02-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Crystal structure of STM1697-FlhD complex To Be Published
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8B9F
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![BU of 8b9f by Molmil](/molmil-images/mine/8b9f) | Structure of Echovirus 11 complexed with DAF (CD55) calculated from symmetry expansion | Descriptor: | Complement decay-accelerating factor, Genome polyprotein, SPHINGOSINE | Authors: | Stuart, D.I, Ren, J, Qin, L, Zhou, D. | Deposit date: | 2022-10-05 | Release date: | 2022-12-07 | Last modified: | 2023-01-04 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | Switching of Receptor Binding Poses between Closely Related Enteroviruses. Viruses, 14, 2022
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