5AK2
 
 | | Oxyphenylpropenoic acids as Oral Selective Estrogen Receptor Down- Regulators. | | Descriptor: | (E)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR | | Authors: | Degorce, S, Bailey, A, Callis, R, De Savi, C, Ducray, R, Lamot, P, MacFaul, P, Maudet, M, Norman, R.A, Scott, J.S, Phillips, C. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Investigation of (E)-3-[4-(2-Oxo-3-Aryl-Chromen-4-Yl)Oxyphenyl]Acrylic Acids as Oral Selective Estrogen Receptor Down-Regulators.
J.Med.Chem., 58, 2015
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5LJO
 | | E. coli BAM complex (BamABCDE) by cryoEM | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Schffrin, B, Calabrese, A.N, Ashcroft, A.E, Brockwell, D.J. | | Deposit date: | 2016-07-19 | | Release date: | 2016-10-12 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Lateral opening in the intact beta-barrel assembly machinery captured by cryo-EM.
Nat Commun, 7, 2016
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1EDH
 | | E-CADHERIN DOMAINS 1 AND 2 IN COMPLEX WITH CALCIUM | | Descriptor: | CALCIUM ION, E-CADHERIN, MERCURY (II) ION | | Authors: | Nagar, B, Overduin, M, Ikura, M, Rini, J.M. | | Deposit date: | 1996-05-15 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of calcium-induced E-cadherin rigidification and dimerization.
Nature, 380, 1996
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3N3G
 | | 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important | | Descriptor: | (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine, 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile, Cathepsin S, ... | | Authors: | Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. | | Deposit date: | 2010-05-20 | | Release date: | 2010-07-14 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important.
Bioorg.Med.Chem.Lett., 20, 2010
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2QFT
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2QFS
 | | E.coli EPSP synthase Pro101Ser liganded with S3P | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | | Authors: | Schonbrunn, E, Healy-Fried, M.L. | | Deposit date: | 2007-06-28 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
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8Y7L
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5MJ5
 | | Crystal structure of the Retinoid X Receptor alpha in complex with synthetichonokiol derivative 3 and a fragment of the TIF2 co-activator. | | Descriptor: | (~{E})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Retinoic acid receptor RXR-alpha | | Authors: | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | | Deposit date: | 2016-11-30 | | Release date: | 2017-11-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
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6AZ1
 | | Cryo-EM structure of the small subunit of Leishmania ribosome bound to paromomycin | | Descriptor: | E-site tRNA, LACK1, MAGNESIUM ION, ... | | Authors: | Shalev-Benami, M, Zhang, Y, Rozenberg, H, Matzov, D, Zimmerman, E, Bashan, A, Jaffe, C.L, Yonath, A, Skiniotis, G. | | Deposit date: | 2017-09-09 | | Release date: | 2017-12-06 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Atomic resolution snapshot of Leishmania ribosome inhibition by the aminoglycoside paromomycin.
Nat Commun, 8, 2017
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2QFU
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2QFQ
 | | E. coli EPSP synthase Pro101Leu liganded with S3P | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | | Authors: | Schonbrunn, E, Healy-Fried, M.L. | | Deposit date: | 2007-06-27 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
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2AI8
 | | E.coli Polypeptide Deformylase complexed with SB-485343 | | Descriptor: | NICKEL (II) ION, Peptide deformylase, [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | | Authors: | Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B. | | Deposit date: | 2005-07-29 | | Release date: | 2005-09-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
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2W7X
 | | Cellular inhibition of checkpoint kinase 2 and potentiation of cytotoxic drugs by novel Chk2 inhibitor PV1019 | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide, ... | | Authors: | Jobson, A.G, Lountos, G.T, Lorenzi, P.L, Llamas, J, Connelly, J, Tropea, J.E, Onda, A, Kondapaka, S, Zhang, G, Caplen, N.J, Caredellina, J.H, Monks, A, Self, C, Waugh, D.S, Shoemaker, R.H, Pommier, Y. | | Deposit date: | 2009-01-06 | | Release date: | 2009-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Cellular Inhibition of Chk2 Kinase and Potentiation of Camptothecins and Radiation by the Novel Chk2 Inhibitor Pv1019.
J.Pharmacol.Exp.Ther., 331, 2009
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2E9A
 | | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-628 | | Descriptor: | (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase | | Authors: | Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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6SCZ
 | | Mycobacterium tuberculosis alanine racemase inhibited by DCS | | Descriptor: | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | de Chiara, C, Purkiss, A, Prosser, G, Homsak, M, de Carvalho, L.P.S. | | Deposit date: | 2019-07-26 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | D-Cycloserine destruction by alanine racemase and the limit of irreversible inhibition.
Nat.Chem.Biol., 16, 2020
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1F4H
 | | E. COLI (LACZ) BETA-GALACTOSIDASE (ORTHORHOMBIC) | | Descriptor: | BETA-GALACTOSIDASE, MAGNESIUM ION | | Authors: | Juers, D.H, Jacobson, R.H, Wigley, D, Zhang, X.J, Huber, R.E, Tronrud, D.E, Matthews, B.W. | | Deposit date: | 2000-06-07 | | Release date: | 2001-02-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | High resolution refinement of beta-galactosidase in a new crystal form reveals multiple metal-binding sites and provides a structural basis for alpha-complementation.
Protein Sci., 9, 2000
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1F4A
 | | E. COLI (LACZ) BETA-GALACTOSIDASE (NCS CONSTRAINED MONOMER-ORTHORHOMBIC) | | Descriptor: | BETA-GALACTOSIDASE, MAGNESIUM ION | | Authors: | Juers, D.H, Jacobson, R.H, Wigley, D, Zhang, X.J, Huber, R.E, Tronrud, D.E, Matthews, B.W. | | Deposit date: | 2000-06-07 | | Release date: | 2001-02-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | High resolution refinement of beta-galactosidase in a new crystal form reveals multiple metal-binding sites and provides a structural basis for alpha-complementation.
Protein Sci., 9, 2000
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8X2K
 | | OEA bound GPR3-Gs complex structure | | Descriptor: | (Z)-N-(2-hydroxyethyl)octadec-9-enamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Geng, C, Yang, D, Jun, X. | | Deposit date: | 2023-11-09 | | Release date: | 2024-04-03 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Structural and functional characterization of the endogenous agonist for orphan receptor GPR3.
Cell Res., 34, 2024
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2XX4
 | | Macrolactone Inhibitor bound to HSP90 N-term | | Descriptor: | (E)-ETHYL 13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDROBENZO[C][1]AZACYCLOTETRADECINE-10-CARBOXYLATE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | | Authors: | Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M. | | Deposit date: | 2010-11-08 | | Release date: | 2011-11-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies.
Acs Chem.Biol., 6, 2011
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2E9C
 | | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-675 | | Descriptor: | 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase | | Authors: | Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E9D
 | | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-676 | | Descriptor: | Undecaprenyl pyrophosphate synthetase, [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | | Authors: | Guo, R.T, Cao, R, Ko, T.P, Liang, P.H, Oldfield, E, Wang, A.H.J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E98
 | | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-629 | | Descriptor: | Undecaprenyl pyrophosphate synthetase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | | Authors: | Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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3PF1
 | | E. coli FadL Asp348Ala mutant | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein | | Authors: | Vandenberg, B, Lepore, B.W, Hearn, E.M, Indic, M, Patel, D. | | Deposit date: | 2010-10-27 | | Release date: | 2011-05-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | From the Cover: Ligand-gated diffusion across the bacterial outer membrane.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2E99
 | | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-608 | | Descriptor: | (1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase | | Authors: | Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J. | | Deposit date: | 2007-01-24 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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6BOK
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