Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
4WKE
DownloadVisualize
BU of 4wke by Molmil
Crystal structure of human ADAMTS-4 in complex with inhibitor 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide (compound 10)
分子名称: 1,2-ETHANEDIOL, 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, ...
著者Durbin, J.D.
登録日2014-10-02
公開日2014-12-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
4WKI
DownloadVisualize
BU of 4wki by Molmil
Crystal structure of human ADAMTS-4 in complex with inhibitor 5-CHLORO-N-{[(4S)-4-(1-METHYL-1H-IMIDAZOL-2-YL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]METHYL}-1-BENZOFURAN-2-CARBOXAMIDE (compound 11)
分子名称: 1,2-ETHANEDIOL, 5-chloro-N-{[(4S)-4-(1-methyl-1H-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, ...
著者Durbin, J.D.
登録日2014-10-02
公開日2014-12-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
4WK7
DownloadVisualize
BU of 4wk7 by Molmil
Crystal structure of human ADAMTS-4 in complex with inhibitor (compound 1, 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl} acetamide)
分子名称: 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, CALCIUM ION, ...
著者Durbin, J.D, Stout, S.L.
登録日2014-10-01
公開日2014-12-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
5L0K
DownloadVisualize
BU of 5l0k by Molmil
Crystal Structure of Autotaxin and Compound PF-8380
分子名称: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Durbin, J.D.
登録日2016-07-27
公開日2016-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
5L0B
DownloadVisualize
BU of 5l0b by Molmil
Crystal Structure of Autotaxin and Compound 1
分子名称: 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Durbin, J.D.
登録日2016-07-27
公開日2016-08-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
5L0E
DownloadVisualize
BU of 5l0e by Molmil
Crystal Structure of Autotaxin and Compound 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one, CHLORIDE ION, ...
著者Durbin, J.D.
登録日2016-07-27
公開日2016-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
6WZM
DownloadVisualize
BU of 6wzm by Molmil
LY3041658 Fab bound to CXCL8
分子名称: 1,2-ETHANEDIOL, Interleukin-8, LY3041658 Fab heavy chain, ...
著者Durbin, J.D, Druzina, Z.
登録日2020-05-14
公開日2020-11-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and characterization of a neutralizing pan-ELR+CXC chemokine monoclonal antibody.
Mabs, 12
6WZJ
DownloadVisualize
BU of 6wzj by Molmil
LY3041658 Fab bound to CXCL2
分子名称: C-X-C motif chemokine 2, LY3041658 Fab Heavy Chain, LY3041658 Fab Light Chain
著者Durbin, J.D, Druzina, Z.
登録日2020-05-14
公開日2020-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Discovery and characterization of a neutralizing pan-ELR+CXC chemokine monoclonal antibody.
Mabs, 12
6WZL
DownloadVisualize
BU of 6wzl by Molmil
LY3041658 Fab bound to CXCL7
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, C-X-C motif chemokine 7, LY3041658 Fab heavy chain, ...
著者Durbin, J.D, Druzina, Z.
登録日2020-05-14
公開日2020-11-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Discovery and characterization of a neutralizing pan-ELR+CXC chemokine monoclonal antibody.
Mabs, 12
6WZK
DownloadVisualize
BU of 6wzk by Molmil
LY3041658 Fab bound to CXCL3
分子名称: 1,2-ETHANEDIOL, ACETATE ION, C-X-C motif chemokine 3, ...
著者Durbin, J.D, Druzina, Z.
登録日2020-05-14
公開日2020-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and characterization of a neutralizing pan-ELR+CXC chemokine monoclonal antibody.
Mabs, 12
6UIB
DownloadVisualize
BU of 6uib by Molmil
Crystal structure of IL23 bound to peptide 23-652
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
著者Durbin, J.D, Wang, J, Afshar, S.
登録日2019-09-30
公開日2020-07-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Integration of phage and yeast display platforms: A reliable and cost effective approach for binning of peptides as displayed on-phage.
Plos One, 15, 2020
7KCO
DownloadVisualize
BU of 7kco by Molmil
ROR gamma in complex with SCR2 and compound 3
分子名称: 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide, GLYCEROL, Nuclear receptor ROR-gamma, ...
著者Durbin, J.D, Guo, S.Y, Stout, S.L, Clawson, D.K.
登録日2020-10-06
公開日2021-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Defining Target Engagement Required for Efficacy In Vivo at the Retinoic Acid Receptor-Related Orphan Receptor C2 (ROR gamma t).
J.Med.Chem., 64, 2021
2QE4
DownloadVisualize
BU of 2qe4 by Molmil
Estrogen receptor alpha ligand-binding domain in complex with a benzopyran agonist
分子名称: (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor
著者Norman, B.H, Richardson, T.I, Dodge, J.A, Pfeifer, L.A, Durst, G.L, Wang, Y, Durbin, J.D, Krishnan, V, Dinn, S.R, Liu, S.Q, Reilly, J.E, Ryter, K.T.
登録日2007-06-22
公開日2007-09-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: Functionalization of the benzopyran A-ring.
Bioorg.Med.Chem.Lett., 17, 2007
2QTU
DownloadVisualize
BU of 2qtu by Molmil
Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand
分子名称: (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol, Estrogen receptor beta
著者Richardson, T.I, Dodge, J.A, Wang, Y, Durbin, J.D, Krishnan, V, Norman, B.H.
登録日2007-08-02
公開日2007-10-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies.
Bioorg.Med.Chem.Lett., 17, 2007
2POG
DownloadVisualize
BU of 2pog by Molmil
Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold.
分子名称: (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL, Estrogen receptor
著者Richardson, T.I, Norman, B.H, Lugar, C.W, Jones, S.A, Wang, Y, Durbin, J.D, Krishnan, V, Dodge, J.A.
登録日2007-04-26
公開日2007-09-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
2JJ3
DownloadVisualize
BU of 2jj3 by Molmil
Estrogen receptor beta ligand binding domain in complex with a Benzopyran agonist
分子名称: (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, ESTROGEN RECEPTOR BETA
著者Norman, B.H, Richardson, T.I, Dodge, J.A, Pfeifer, L.A, Durst, G.L, Wang, Y, Durbin, J.D, Krishnan, V, Dinn, S.R, Liu, S, Reilly, J.E, Ryter, K.T.
登録日2007-07-03
公開日2007-08-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Benzopyrans as Selective Estrogen Receptor Beta Agonists (Serbas). Part 4: Functionalization of the Benzopyran A-Ring.
Bioorg.Med.Chem.Lett., 17, 2007
8UG1
DownloadVisualize
BU of 8ug1 by Molmil
Crystal structure of KHK-C and compound 13
分子名称: GLYCEROL, Ketohexokinase, SULFATE ION, ...
著者Durbin, J.D, Guo, S.Y.
登録日2023-10-05
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.
J.Med.Chem., 66, 2023
8UG3
DownloadVisualize
BU of 8ug3 by Molmil
Crystal structure of KHK-C and compound 23
分子名称: 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one, GLYCEROL, Ketohexokinase, ...
著者Durbin, J.D, Guo, S.Y.
登録日2023-10-05
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.
J.Med.Chem., 66, 2023
6NOU
DownloadVisualize
BU of 6nou by Molmil
An scFv derived from ixekizumab
分子名称: GLYCEROL, scFv derived from ixekizumab
著者Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Atwell, S.
登録日2019-01-16
公開日2019-06-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.914 Å)
主引用文献Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
6NOV
DownloadVisualize
BU of 6nov by Molmil
A Fab derived from ixekizumab
分子名称: DODECAETHYLENE GLYCOL, Fab Heavy Chain, Fab Light Chain
著者Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Schmitt, M, Atwell, S.
登録日2019-01-16
公開日2019-06-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
2Q70
DownloadVisualize
BU of 2q70 by Molmil
Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand
分子名称: (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor
著者Wang, Y.
登録日2007-06-05
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.
Bioorg.Med.Chem.Lett., 17, 2007
2Z4B
DownloadVisualize
BU of 2z4b by Molmil
Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand
分子名称: (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor beta
著者Wang, Y.
登録日2007-06-14
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: Synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.
Bioorg.Med.Chem.Lett., 17, 2007
4P6G
DownloadVisualize
BU of 4p6g by Molmil
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor.
分子名称: (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate, Cathepsin S
著者Wang, Y, Jadhav, P.K.
登録日2014-03-24
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
4P6E
DownloadVisualize
BU of 4p6e by Molmil
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor
分子名称: Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION
著者Wang, Y, Jadhav, P.K, Deng, G.G.
登録日2014-03-24
公開日2014-10-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014

227111

件を2024-11-06に公開中

PDB statisticsPDBj update infoContact PDBjnumon