7LZ7
 
 | | Tubulin-RB3_SLD-TTL in complex with compound 5k | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2021-03-09 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
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6IDX
 | | Crystal Structure of BAI1/ELMO2 complex | | Descriptor: | Adhesion G protein-coupled receptor B1, Engulfment and cell motility protein 2 | | Authors: | Weng, Z.F, Lin, L, Zhu, J.W, Zhang, R.G. | | Deposit date: | 2018-09-11 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds
Nat Commun, 10, 2019
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6IE1
 | | Crystal Structure of ELMO2(Engulfment and cell motility protein 2) | | Descriptor: | Engulfment and cell motility protein 2, GLYCEROL | | Authors: | Weng, Z.F, Lin, L, Zhang, R.G, Zhu, J.W. | | Deposit date: | 2018-09-12 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds
Nat Commun, 10, 2019
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7NQK
 | | Cryo-EM structure of the mammalian peptide transporter PepT2 | | Descriptor: | Solute carrier family 15 member 2, nanobody | | Authors: | Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S. | | Deposit date: | 2021-03-01 | | Release date: | 2021-07-07 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structure of PepT2 reveals structural basis for proton-coupled peptide and prodrug transport in mammals.
Sci Adv, 7, 2021
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8DIQ
 | | Tubulin-RB3_SLD-TTL in complex with SB226 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2022-06-29 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.395 Å) | | Cite: | SB226, an inhibitor of tubulin polymerization, inhibits paclitaxel-resistant melanoma growth and spontaneous metastasis.
Cancer Lett., 555, 2022
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3V6O
 | | Leptin Receptor-antibody complex | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Carpenter, B, Hemsworth, G.R, Ross, R.J, Artymiuk, P.J. | | Deposit date: | 2011-12-20 | | Release date: | 2012-03-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of the human obesity receptor leptin-binding domain reveals the mechanism of leptin antagonism by a monoclonal antibody.
Structure, 20, 2012
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3VG0
 | | Antibody Fab fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Monoclonal antibody 9F8 Fab fragment H chain, ... | | Authors: | Carpenter, B, Hemsworth, G.R, Ross, R.J, Artymiuk, P.J. | | Deposit date: | 2012-01-10 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structure of the human obesity receptor leptin-binding domain reveals the mechanism of leptin antagonism by a monoclonal antibody.
Structure, 20, 2012
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5HJS
 | | Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ... | | Authors: | Parthasarathy, G, Klein, D. | | Deposit date: | 2016-01-13 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
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5HJP
 | | Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ... | | Authors: | Parthasarathy, G, Klein, D. | | Deposit date: | 2016-01-13 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
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5I4V
 | | Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists | | Descriptor: | Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol | | Authors: | Chen, G, McKeever, B.M. | | Deposit date: | 2016-02-12 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist.
J.Med.Chem., 59, 2016
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3ZNR
 | | HDAC7 bound with inhibitor TMP269 | | Descriptor: | HISTONE DEACETYLASE 7, N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ... | | Authors: | Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m. | | Deposit date: | 2013-02-15 | | Release date: | 2013-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
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3ZNS
 | | HDAC7 bound with TFMO inhibitor tmp942 | | Descriptor: | HISTONE DEACETYLASE 7, N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ... | | Authors: | Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A. | | Deposit date: | 2013-02-15 | | Release date: | 2013-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
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4HRV
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3GXA
 | | Crystal structure of GNA1946 | | Descriptor: | METHIONINE, Outer membrane lipoprotein GNA1946, SULFATE ION | | Authors: | Yang, X, Shen, Y. | | Deposit date: | 2009-04-02 | | Release date: | 2009-10-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of lipoprotein GNA1946 from Neisseria meningitidis
J.Struct.Biol., 168, 2009
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3HJ2
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3HJD
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1ZMH
 | | Crystal structure of human neutrophil peptide 2, HNP-2 (variant Gly16-> D-Ala) | | Descriptor: | GLYCEROL, HEXAETHYLENE GLYCOL, Neutrophil defensin 2, ... | | Authors: | Lubkowski, J, Prahl, A, Lu, W. | | Deposit date: | 2005-05-10 | | Release date: | 2005-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
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1ZMI
 | | Crystal structure of human alpha_defensin-2 (variant GLY16->D-ALA), P 32 2 1 space group ) | | Descriptor: | GLYCEROL, Neutrophil defensin 2, SULFATE ION | | Authors: | Lubkowski, J, Prahl, A, Lu, W. | | Deposit date: | 2005-05-10 | | Release date: | 2005-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
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1ZMM
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1ZMK
 | | Crystal structure of human alpha-defensin-2 (variant Gly16-> D-ALA), P 42 21 2 space group | | Descriptor: | CHLORIDE ION, GLYCEROL, Neutrophil defensin 2 | | Authors: | Lubkowski, J, Prahl, A, Lu, W. | | Deposit date: | 2005-05-10 | | Release date: | 2005-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
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1ZMP
 | | Crystal structure of human defensin-5 | | Descriptor: | CHLORIDE ION, Defensin 5, GLYCEROL, ... | | Authors: | Lubkowski, J, Szyk, A, Lu, W. | | Deposit date: | 2005-05-10 | | Release date: | 2006-05-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of human {alpha}-defensins HNP4, HD5, and HD6.
Protein Sci., 15, 2006
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1ZMQ
 | | Crystal structure of human alpha-defensin-6 | | Descriptor: | CHLORIDE ION, Defensin 6 | | Authors: | Lubkowski, J, Szyk, A, Lu, W. | | Deposit date: | 2005-05-10 | | Release date: | 2006-05-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of human {alpha}-defensins HNP4, HD5, and HD6.
Protein Sci., 15, 2006
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7YQE
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7DVB
 | | D335N variant of Bt4394 in complex with 6SO3-NAG-oxazoline intermediate | | Descriptor: | 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate | | Authors: | Zhang, Z, He, Y, Jin, Y. | | Deposit date: | 2021-01-13 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
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7DUP
 | | Apo structure of wild type Bt4394, a GH20 family sulfoglycosidase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | | Authors: | Zhang, Z, He, Y, Jin, Y. | | Deposit date: | 2021-01-10 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
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