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PDB: 265 results
4TKR
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BU of 4tkr by Molmil
Native-SAD phasing for ThiT from Listeria monocytogenes serovar.
Descriptor: 2-O-octyl-beta-D-glucopyranose, THIAMINE DIPHOSPHATE, Thiamine transporter thia
Authors:Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2014-05-27
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.0023 Å)
Cite:Multi-crystal native SAD analysis at 6 keV.
Acta Crystallogr.,Sect.D, 70, 2014
4MMJ
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BU of 4mmj by Molmil
crystal structure of YafQ from E.coli strain BL21(DE3)
Descriptor: Addiction module toxin, RelE/StbE family, SULFATE ION
Authors:Liang, Y, Gao, Z, Liu, Q, Dong, Y.
Deposit date:2013-09-09
Release date:2014-06-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ
J.Biol.Chem., 289, 2014
3QCY
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BU of 3qcy by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 4-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-N-phenyl-2-morpholinecarboxamide
Descriptor: (2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCQ
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BU of 3qcq by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ...
Authors:Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD0
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BU of 3qd0 by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with (2R,5S)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide
Descriptor: (3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3SAF
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BU of 3saf by Molmil
Crystal structure of the human RRP6 catalytic domain with D313N mutation in the active site
Descriptor: Exosome component 10, MAGNESIUM ION, YTTRIUM (III) ION
Authors:Januszyk, K, Liu, Q, Lima, C.D.
Deposit date:2011-06-02
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Activities of human RRP6 and structure of the human RRP6 catalytic domain.
Rna, 17, 2011
3SAG
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BU of 3sag by Molmil
Crystal structure of the human RRP6 catalytic domain with D313N mutation in the active site
Descriptor: Exosome component 10, MAGNESIUM ION, YTTRIUM (III) ION
Authors:Januszyk, K, Liu, Q, Lima, C.D.
Deposit date:2011-06-02
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Activities of human RRP6 and structure of the human RRP6 catalytic domain.
Rna, 17, 2011
3SAH
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BU of 3sah by Molmil
Crystal structure of the human RRP6 catalytic domain with Y436A mutation in the catalytic site
Descriptor: Exosome component 10, MAGNESIUM ION, YTTRIUM (III) ION
Authors:Januszyk, K, Liu, Q, Lima, C.D.
Deposit date:2011-06-02
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Activities of human RRP6 and structure of the human RRP6 catalytic domain.
Rna, 17, 2011
3QD3
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BU of 3qd3 by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate
Descriptor: 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD4
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BU of 3qd4 by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate
Descriptor: 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate
Authors:Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCS
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BU of 3qcs by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-[2-Amino-6-(4-morpholinyl)-4-pyrimidinyl]-1H-indazol-3-amine
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine, GLYCEROL, ...
Authors:Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCX
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BU of 3qcx by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, GLYCEROL, ...
Authors:Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3TBD
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BU of 3tbd by Molmil
Crystal Structure of domain VI and LE1 of human Netrin-G2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Brasch, J, Liu, Q, Shapiro, L.
Deposit date:2011-08-05
Release date:2011-11-02
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the ligand binding domain of netrin g2.
J.Mol.Biol., 414, 2011
4R97
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BU of 4r97 by Molmil
Crystal structure of the Fab fragment of KKO
Descriptor: GLYCEROL, ZINC ION, platelet factor 4 antibody KKO heavy chain, ...
Authors:Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
Deposit date:2014-09-03
Release date:2015-12-16
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
4R9W
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BU of 4r9w by Molmil
Crystal structure of platelet factor 4 complexed with fondaparinux
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Platelet factor 4
Authors:Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
Deposit date:2014-09-08
Release date:2015-12-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
4R9Y
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BU of 4r9y by Molmil
Crystal structure of KKOFab in complex with platelet factor 4
Descriptor: Platelet factor 4, Platelet factor 4 antibody KKO heavy chain, Platelet factor 4 antibody KKO light chain
Authors:Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
Deposit date:2014-09-08
Release date:2015-12-16
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.11 Å)
Cite:Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
4RYQ
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BU of 4ryq by Molmil
Crystal structure of BcTSPO, type 2 at 1.7 Angstrom
Descriptor: Integral membrane protein, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Authors:Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2014-12-16
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Protein structure. Structure and activity of tryptophan-rich TSPO proteins.
Science, 347, 2015
4TKS
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BU of 4tks by Molmil
Native-SAD phasing for human EGFR kinase domain.
Descriptor: Epidermal growth factor receptor
Authors:Cai, Z, Greene, M.I, Liu, Q.
Deposit date:2014-05-27
Release date:2014-10-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2017 Å)
Cite:Multi-crystal native SAD analysis at 6 keV.
Acta Crystallogr.,Sect.D, 70, 2014
4RYM
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BU of 4rym by Molmil
Crystal structure of BcTSPO Iodo Type1 monomer
Descriptor: IODIDE ION, Integral membrane protein
Authors:Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2014-12-15
Release date:2015-01-28
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Protein structure. Structure and activity of tryptophan-rich TSPO proteins.
Science, 347, 2015
4RYJ
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BU of 4ryj by Molmil
Crystal structure of apo dimer of BcTSPO
Descriptor: Integral membrane protein
Authors:Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2014-12-15
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Protein structure. Structure and activity of tryptophan-rich TSPO proteins.
Science, 347, 2015
5Y0G
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BU of 5y0g by Molmil
Crystal structure of human FABP4 complexed with ligand 4-Fluoro-3-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid
Descriptor: 4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-17
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.542 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y0X
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BU of 5y0x by Molmil
Crystal structure of human FABP4 complexed with ligand 2-fluoro-3-((4-methoxynaphthalene)-1-sulfonamido)benzoic acid
Descriptor: 2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y13
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BU of 5y13 by Molmil
Crystal structure of human FABP4 complexed with ligand 5-((4-bromonaphthalene)-1-sulfonamido)pentanoic acid
Descriptor: 5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y0F
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BU of 5y0f by Molmil
Crystal structure of human FABP4 complexed with ligand 2-fluoro-5-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid
Descriptor: 2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-17
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y12
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BU of 5y12 by Molmil
Crystal structure of human FABP4 complexed with ligand 5-((4-methoxynaphthalene)-1-sulfonamido)pentanoic acid
Descriptor: 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018

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