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5BUS	O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, in complex with AMP Descriptor: 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, CHLORIDE ION Authors: Chen, Y, Sun, Y, Song, H, Guo, Z. Deposit date: 2015-06-04 Release date: 2015-08-26 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.603 Å) Cite: Structural Basis for the ATP-dependent Configuration of Adenylation Active Site in Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase J.Biol.Chem., 290, 2015
5M71	Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with an (R)-methyl substitued Fasudil-derivative. Descriptor: 5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ... Authors: Wienen-Schmidt, B, Heine, A, Klebe, G. Deposit date: 2016-10-26 Release date: 2018-06-06 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.488 Å) Cite: Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands To be Published
2ZK6	Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with C8-BODIPY Descriptor: Peroxisome proliferator-activated receptor gamma, difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron Authors: Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K. Deposit date: 2008-03-12 Release date: 2009-02-24 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.41 Å) Cite: The nuclear receptor PPARgamma individually responds to serotonin- and fatty acid-metabolites Embo J., 29, 2010
2OI4	Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... Authors: Maksimoska, J, Meggers, E. Deposit date: 2007-01-10 Release date: 2007-04-10 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Ruthenium half-sandwich complexes as protein kinase inhibitors: derivatization of the pyridocarbazole pharmacophore ligand. Org.Biomol.Chem., 5, 2007
6GZR	Solution NMR structure of the tetramethylrhodamine (TMR) aptamer 3 in complex with 5-TAMRA Descriptor: 5-carboxy methylrhodamine, tetramethylrhodamine aptamer Authors: Duchardt-Ferner, E, Ohlenschlager, O, Kreutz, C.R, Wohnert, J. Deposit date: 2018-07-05 Release date: 2019-07-17 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Structure of an RNA aptamer in complex with the fluorophore tetramethylrhodamine. Nucleic Acids Res., 48, 2020
6D1X	N-Domain Of Grp94, with the Charged Domain, In Complex With the Novel Ligand N-Propyl Carboxyamido Adenosine Descriptor: Endoplasmin, N-PROPYL CARBOXYAMIDO ADENOSINE, TETRAETHYLENE GLYCOL Authors: Gewirth, D.T, Immormino, R.M. Deposit date: 2018-04-12 Release date: 2018-05-02 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.3 Å) Cite: NECA derivatives exploit the paralog-specific properties of the site 3 side pocket of Grp94, the endoplasmic reticulum Hsp90. J.Biol.Chem., 294, 2019
6D6D	The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 13 Descriptor: 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate, Transcriptional activator protein LasR Authors: Dong, S.H, Nair, S.K. Deposit date: 2018-04-20 Release date: 2018-08-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural and Biochemical Studies of Non-native Agonists of the LasR Quorum-Sensing Receptor Reveal an L3 Loop "Out" Conformation for LasR. Cell Chem Biol, 25, 2018
6D6O	The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 17 Descriptor: 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate, Transcriptional activator protein LasR Authors: Dong, S.H, Nair, S.K. Deposit date: 2018-04-21 Release date: 2018-08-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural and Biochemical Studies of Non-native Agonists of the LasR Quorum-Sensing Receptor Reveal an L3 Loop "Out" Conformation for LasR. Cell Chem Biol, 25, 2018
6D6C	The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 12 Descriptor: 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate, HISTIDINE, Transcriptional activator protein LasR Authors: Dong, S.H, Nair, S.K. Deposit date: 2018-04-20 Release date: 2018-08-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Structural and Biochemical Studies of Non-native Agonists of the LasR Quorum-Sensing Receptor Reveal an L3 Loop "Out" Conformation for LasR. Cell Chem Biol, 25, 2018
3KEI	Crystal Structure of the GluA4 Ligand-Binding domain L651V mutant in complex with glutamate Descriptor: GLUTAMIC ACID, Glutamate receptor 4 Authors: Gill, A, Madden, D.R. Deposit date: 2009-10-26 Release date: 2010-02-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Enhanced efficacy without further cleft closure: reevaluating twist as a source of agonist efficacy in AMPA receptors. J.Neurosci., 30, 2010
6D6P	The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 19 Descriptor: N-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide, Transcriptional activator protein LasR Authors: Dong, S.H, Nair, S.K. Deposit date: 2018-04-21 Release date: 2018-08-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural and Biochemical Studies of Non-native Agonists of the LasR Quorum-Sensing Receptor Reveal an L3 Loop "Out" Conformation for LasR. Cell Chem Biol, 25, 2018
6D6L	The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 14 Descriptor: 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate, Transcriptional activator protein LasR Authors: Dong, S.H, Nair, S.K. Deposit date: 2018-04-21 Release date: 2018-08-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Structural and Biochemical Studies of Non-native Agonists of the LasR Quorum-Sensing Receptor Reveal an L3 Loop "Out" Conformation for LasR. Cell Chem Biol, 25, 2018
5BUR	O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, in Complex with ATP and Magnesium Ion Descriptor: 1,2-ETHANEDIOL, 2-succinylbenzoate--CoA ligase, ADENOSINE-5'-TRIPHOSPHATE, ... Authors: Chen, Y, Sun, Y, Song, H, Guo, Z. Deposit date: 2015-06-04 Release date: 2015-08-26 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.82 Å) Cite: Structural Basis for the ATP-dependent Configuration of Adenylation Active Site in Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase J.Biol.Chem., 290, 2015
1MLH	STRUCTURAL AND FUNCTIONAL EFFECTS OF APOLAR MUTATIONS OF VAL68(E11) IN MYOGLOBIN Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION Authors: Quillin, M.L, Phillips Jr, G.N. Deposit date: 1994-06-15 Release date: 1994-08-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural and functional effects of apolar mutations of the distal valine in myoglobin. J.Mol.Biol., 245, 1995
1MLM	STRUCTURAL AND FUNCTIONAL EFFECTS OF APOLAR MUTATIONS OF VAL68(E11) IN MYOGLOBIN Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Quillin, M.L, Phillips Jr, G.N. Deposit date: 1994-06-15 Release date: 1994-08-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural and functional effects of apolar mutations of the distal valine in myoglobin. J.Mol.Biol., 245, 1995
5ZYI	Crystal structure of CERT START domain in complex with compound E16 Descriptor: 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT Authors: Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. Deposit date: 2018-05-25 Release date: 2019-02-27 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT Commun Chem, 2019
5ZYJ	Crystal structure of CERT START domain in complex with compound E16A Descriptor: 2-[4-[4-pentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT Authors: Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. Deposit date: 2018-05-25 Release date: 2019-02-27 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT Commun Chem, 2019
4TTV	Crystal structure of human ThrRS complexing with a bioengineered macrolide BC194 Descriptor: (1R,2R)-2-[(2S,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid, Threonine--tRNA ligase, cytoplasmic, ... Authors: Fang, P, Guo, M. Deposit date: 2014-06-23 Release date: 2015-09-30 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Aminoacyl-tRNA synthetase dependent angiogenesis revealed by a bioengineered macrolide inhibitor. Sci Rep, 5, 2015
1MLN	STRUCTURAL AND FUNCTIONAL EFFECTS OF APOLAR MUTATIONS OF VAL68(E11) IN MYOGLOBIN Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION Authors: Quillin, M.L, Phillips Jr, G.N. Deposit date: 1994-06-15 Release date: 1994-08-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural and functional effects of apolar mutations of the distal valine in myoglobin. J.Mol.Biol., 245, 1995
1MLR	STRUCTURAL AND FUNCTIONAL EFFECTS OF APOLAR MUTATIONS OF VAL68(E11) IN MYOGLOBIN Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION Authors: Quillin, M.L, Phillips Jr, G.N. Deposit date: 1994-06-15 Release date: 1994-08-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural and functional effects of apolar mutations of the distal valine in myoglobin. J.Mol.Biol., 245, 1995
1MLJ	STRUCTURAL AND FUNCTIONAL EFFECTS OF APOLAR MUTATIONS OF VAL68(E11) IN MYOGLOBIN Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Quillin, M.L, Phillips Jr, G.N. Deposit date: 1994-06-15 Release date: 1994-08-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural and functional effects of apolar mutations of the distal valine in myoglobin. J.Mol.Biol., 245, 1995
1MLF	STRUCTURAL AND FUNCTIONAL EFFECTS OF APOLAR MUTATIONS OF VAL68(E11) IN MYOGLOBIN Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Quillin, M.L, Phillips Jr, G.N. Deposit date: 1994-06-15 Release date: 1994-08-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural and functional effects of apolar mutations of the distal valine in myoglobin. J.Mol.Biol., 245, 1995
1MLO	STRUCTURAL AND FUNCTIONAL EFFECTS OF APOLAR MUTATIONS OF VAL68(E11) IN MYOGLOBIN Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION Authors: Quillin, M.L, Phillips Jr, G.N. Deposit date: 1994-06-15 Release date: 1994-08-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural and functional effects of apolar mutations of the distal valine in myoglobin. J.Mol.Biol., 245, 1995
1MLK	STRUCTURAL AND FUNCTIONAL EFFECTS OF APOLAR MUTATIONS OF VAL68(E11) IN MYOGLOBIN Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION Authors: Quillin, M.L, Phillips Jr, G.N. Deposit date: 1994-06-15 Release date: 1994-08-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural and functional effects of apolar mutations of the distal valine in myoglobin. J.Mol.Biol., 245, 1995
1MLL	STRUCTURAL AND FUNCTIONAL EFFECTS OF APOLAR MUTATIONS OF VAL68(E11) IN MYOGLOBIN Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION Authors: Quillin, M.L, Phillips Jr, G.N. Deposit date: 1994-06-15 Release date: 1994-08-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural and functional effects of apolar mutations of the distal valine in myoglobin. J.Mol.Biol., 245, 1995

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