4RRX
 
 | | Crystal Structure of Apo Murine V89W Cyclooxygenase-2 Complexed with Lumiracoxib | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | | 著者 | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | | 登録日 | 2014-11-06 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2.
J.Biol.Chem., 290, 2015
|
|
6E6M
 | | Crystal structure of human cellular retinol-binding protein 1 in complex with cannabidiorcin (CBDO) | | 分子名称: | (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol, Retinol-binding protein 1 | | 著者 | Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. | | 登録日 | 2018-07-25 | | 公開日 | 2019-02-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
|
|
4RRW
 | | Crystal Structure of Apo Murine Cyclooxygenase-2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | | 著者 | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | | 登録日 | 2014-11-06 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.569 Å) | | 主引用文献 | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2.
J.Biol.Chem., 290, 2015
|
|
6E5T
 | | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiorcin (Abn-CBDO) | | 分子名称: | (1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | | 著者 | Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. | | 登録日 | 2018-07-23 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
|
|
4RS0
 | | Crystal Structure of Murine H90W Cyclooxygenase-2 Complexed with S-ibuprofen | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ... | | 著者 | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | | 登録日 | 2014-11-06 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.807 Å) | | 主引用文献 | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2.
J.Biol.Chem., 290, 2015
|
|
4RRZ
 | | Crystal Structure of Apo Murine H90W Cyclooxygenase-2 Complexed with Lumiracoxib | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | | 著者 | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | | 登録日 | 2014-11-06 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.569 Å) | | 主引用文献 | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2.
J.Biol.Chem., 290, 2015
|
|
6E5W
 | | Crystal structure of human cellular retinol binding protein 3 in complex with abnormal-cannabidiol (abn-CBD) | | 分子名称: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, GLYCEROL, Retinol-binding protein 5 | | 著者 | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | 登録日 | 2018-07-23 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
|
|
6E5L
 | | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiol (abn-CBD) | | 分子名称: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | | 著者 | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | 登録日 | 2018-07-20 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
|
|
6E6K
 | | Crystal structure of human cellular retinol-binding protein 4 in complex with abnormal-cannabidiol (abn-CBD) | | 分子名称: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinoid-binding protein 7 | | 著者 | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | 登録日 | 2018-07-25 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
|
|
6CVM
 | | Atomic resolution cryo-EM structure of beta-galactosidase | | 分子名称: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, MAGNESIUM ION, ... | | 著者 | Subramaniam, S, Bartesaghi, A, Banerjee, S, Zhu, X, Milne, J.L.S. | | 登録日 | 2018-03-28 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | | 主引用文献 | Atomic Resolution Cryo-EM Structure of beta-Galactosidase.
Structure, 26, 2018
|
|
4OTJ
 | | The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin, N-{(succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide | | 分子名称: | (5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | | 登録日 | 2014-02-13 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors.
Acs Chem.Biol., 11, 2016
|
|
6D9Z
 | | Structure of CysZ, a sulfate permease from Pseudomonas Denitrificans | | 分子名称: | Sulfate transporter CysZ, octyl beta-D-glucopyranoside | | 著者 | Sanghai, Z.A, Clarke, O.B, Liu, Q, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Mancia, F. | | 登録日 | 2018-04-30 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.4021318 Å) | | 主引用文献 | Structure-based analysis of CysZ-mediated cellular uptake of sulfate.
Elife, 7, 2018
|
|
4YJ0
 | | Crystal structure of the DM domain of human DMRT1 bound to 25mer target DNA | | 分子名称: | DNA (25-MER), Doublesex- and mab-3-related transcription factor 1, ZINC ION | | 著者 | Murphy, M.W, Lee, J.K, Rojo, S, Gearhart, M.D, Kurahashi, K, Banerjee, S, Loeuille, G, Bashamboo, A, McElreavey, K, Zarkower, D, Aihara, H, Bardwell, V.J. | | 登録日 | 2015-03-02 | | 公開日 | 2015-05-27 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (3.814 Å) | | 主引用文献 | An ancient protein-DNA interaction underlying metazoan sex determination.
Nat.Struct.Mol.Biol., 22, 2015
|
|
6D79
 | | Structure of CysZ, a sulfate permease from Pseudomonas Fragi | | 分子名称: | Sulfate transporter CysZ | | 著者 | Sanghai, Z.A, Liu, Q, Clarke, O.B, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Mancia, F. | | 登録日 | 2018-04-24 | | 公開日 | 2018-05-16 | | 最終更新日 | 2020-01-01 | | 実験手法 | X-RAY DIFFRACTION (3.501 Å) | | 主引用文献 | Structure-based analysis of CysZ-mediated cellular uptake of sulfate.
Elife, 7, 2018
|
|
4Z0L
 | | The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative | | 分子名称: | (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J. | | 登録日 | 2015-03-26 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2.
Chemmedchem, 11, 2016
|
|
4OTY
 | | Crystal structure of lumiracoxib bound to the apo-mouse-cyclooxygenase-2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | | 著者 | Xu, S, Windsor, M.A, Banerjee, S, Marnett, L.J. | | 登録日 | 2014-02-14 | | 公開日 | 2014-02-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.354 Å) | | 主引用文献 | Exploring the molecular determinants of substrate-selective inhibition of cyclooxygenase-2 by lumiracoxib.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
4O1Z
 | | Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | | 著者 | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreselasie, K, Clayton, G.M, Garavito, R.M, Marnett, L.J. | | 登録日 | 2013-12-16 | | 公開日 | 2014-01-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
|
|
5A1A
 | | 2.2 A resolution cryo-EM structure of beta-galactosidase in complex with a cell-permeant inhibitor | | 分子名称: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, BETA-GALACTOSIDASE, MAGNESIUM ION, ... | | 著者 | Bartesaghi, A, Merk, A, Banerjee, S, Matthies, D, Wu, X, Milne, J, Subramaniam, S. | | 登録日 | 2015-04-29 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | 2.2 A Resolution Cryo-Em Structure of Beta-Galactosidase in Complex with a Cell-Permeant Inhibitor
Science, 348, 2015
|
|
6BL3
 | | Crystal Complex of Cyclooxygenase-2 with indomethacin-butyldiamine-dansyl conjugate | | 分子名称: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | | 登録日 | 2017-11-09 | | 公開日 | 2018-11-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.217 Å) | | 主引用文献 | Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site.
J.Biol.Chem., 294, 2019
|
|
6BL4
 | | Crystal Complex of Cyclooxygenase-2 with indomethacin-ethylenediamine-dansyl conjugate | | 分子名称: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | | 登録日 | 2017-11-09 | | 公開日 | 2018-11-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site.
J.Biol.Chem., 294, 2019
|
|
4O6M
 | | Structure of AF2299, a CDP-alcohol phosphotransferase (CMP-bound) | | 分子名称: | AF2299, a CDP-alcohol phosphotransferase, CALCIUM ION, ... | | 著者 | Clarke, O.B, Sciara, G, Tomasek, D, Banerjee, S, Rajashankar, K.R, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | 登録日 | 2013-12-22 | | 公開日 | 2014-05-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Structural basis for catalysis in a CDP-alcohol phosphotransferase.
Nat Commun, 5, 2014
|
|
4O6N
 | | Structure of AF2299, a CDP-alcohol phosphotransferase (CDP-bound) | | 分子名称: | AF2299, a CDP-alcohol phosphotransferase, CALCIUM ION, ... | | 著者 | Clarke, O.B, Sciara, G, Tomasek, D, Banerjee, S, Rajashankar, K.R, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | 登録日 | 2013-12-22 | | 公開日 | 2014-05-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for catalysis in a CDP-alcohol phosphotransferase.
Nat Commun, 5, 2014
|
|
5HGJ
 | | Structure of integrin alpha1beta1 and alpha2beta1 I-domains explain differential calcium-mediated ligand recognition | | 分子名称: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Brown, K.L, Banerjee, S, Feigley, A, Abe, H, Blackwell, T, Zent, R, Pozzi, A, Hudson, B.H. | | 登録日 | 2016-01-08 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.399 Å) | | 主引用文献 | Salt-bridge modulates differential calcium-mediated ligand binding to integrin alpha 1- and alpha 2-I domains.
Sci Rep, 8, 2018
|
|
5HJ2
 | | Integrin alpha2beta1 I-domain | | 分子名称: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Brown, K.L, Banerjee, S. | | 登録日 | 2016-01-12 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.153 Å) | | 主引用文献 | Salt-bridge modulates differential calcium-mediated ligand binding to integrin alpha 1- and alpha 2-I domains.
Sci Rep, 8, 2018
|
|
5W58
 | | Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor) | | 分子名称: | (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J. | | 登録日 | 2017-06-14 | | 公開日 | 2018-01-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.267 Å) | | 主引用文献 | Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
J. Biol. Chem., 293, 2018
|
|
