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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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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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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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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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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6BG2
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![BU of 6bg2 by Molmil](/molmil-images/mine/6bg2) | |
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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6BDL
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![BU of 6bdl by Molmil](/molmil-images/mine/6bdl) | |
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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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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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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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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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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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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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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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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5HXF
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![BU of 5hxf by Molmil](/molmil-images/mine/5hxf) | |
5T1A
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![BU of 5t1a by Molmil](/molmil-images/mine/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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