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1Y0C	T-to-THigh Quaternary Transitions in Human Hemoglobin: alphaY140F deoxy low-salt Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE Authors: Kavanaugh, J.S, Rogers, P.H, Arnone, A. Deposit date: 2004-11-15 Release date: 2004-12-07 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
1OLC	OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH LYS-LYS-LYS-ALA Descriptor: LYS-LYS-LYS-ALA, OLIGO-PEPTIDE BINDING PROTEIN, URANYL (VI) ION Authors: Tame, J, Wilkinson, A.J. Deposit date: 1995-09-10 Release date: 1996-01-29 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The crystal structures of the oligopeptide-binding protein OppA complexed with tripeptide and tetrapeptide ligands. Structure, 3, 1995
3NYR	Malonyl-CoA Ligase Ternary Product Complex with Malonyl-CoA and AMP bound Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, MALONYL-COENZYME A, ... Authors: Hughes, A.J, Keatinge-Clay, A.T. Deposit date: 2010-07-15 Release date: 2011-03-30 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Enzymatic Extender Unit Generation for In Vitro Polyketide Synthase Reactions: Structural and Functional Showcasing of Streptomyces coelicolor MatB. Chem.Biol., 18, 2011
4E4Q	Crystal structure of PPARgamma with the ligand FS214 Descriptor: (2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma Authors: Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E. Deposit date: 2012-03-13 Release date: 2013-01-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.5 Å) Cite: New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression. J.Med.Chem., 56, 2013
1Y4Q	T-To-T(High) quaternary transitions in human hemoglobin: betaF42A deoxy low-salt (1 test set) Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE Authors: Kavanaugh, J.S, Rogers, P.H, Arnone, A. Deposit date: 2004-12-01 Release date: 2004-12-07 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
1Y5F	T-To-T(High) quaternary transitions in human hemoglobin: betaL96A deoxy low-salt (1 test set) Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE Authors: Kavanaugh, J.S, Rogers, P.H, Arnone, A. Deposit date: 2004-12-02 Release date: 2004-12-14 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
1Y2Z	T-To-T(High) quaternary transitions in human hemoglobin: betaV34G deoxy low-salt (1 test set) Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE Authors: Kavanaugh, J.S, Rogers, P.H, Arnone, A. Deposit date: 2004-11-23 Release date: 2004-12-07 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
1Y4R	T-To-T(High) quaternary transitions in human hemoglobin: betaF45A deoxy low-salt (1 test set) Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE Authors: Kavanaugh, J.S, Rogers, P.H, Arnone, A. Deposit date: 2004-12-01 Release date: 2004-12-07 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
1Y7Z	T-To-T(High) quaternary transitions in human hemoglobin: betaN108A deoxy low-salt (1 test set) Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE Authors: Kavanaugh, J.S, Rogers, P.H, Arnone, A. Deposit date: 2004-12-10 Release date: 2004-12-21 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
1Y0T	T-to-T(High) Quaternary Transitions in Human Hemoglobin: betaV1M deoxy low-salt (1 test set) Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE Authors: Kavanaugh, J.S, Rogers, P.H, Arnone, A. Deposit date: 2004-11-16 Release date: 2004-12-07 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
1Y4B	T-To-T(High) quaternary transitions in human hemoglobin: betaW37H deoxy low-salt (10 test sets) Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE Authors: Kavanaugh, J.S, Rogers, P.H, Arnone, A. Deposit date: 2004-11-30 Release date: 2004-12-07 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
1Y0D	T-to-THigh Quaternary Transitions in Human Hemoglobin: desArg141alpha deoxy low-salt Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE Authors: Kavanaugh, J.S, Rogers, P.H, Arnone, A. Deposit date: 2004-11-15 Release date: 2004-11-30 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
1Y5J	T-To-T(High) quaternary transitions in human hemoglobin: betaH97A deoxy low-salt (1 test set) Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE Authors: Kavanaugh, J.S, Rogers, P.H, Arnone, A. Deposit date: 2004-12-02 Release date: 2004-12-14 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
1F5O	2.9 ANGSTROM CRYSTAL STRUCTURE OF DEOXYGENATED LAMPREY HEMOGLOBIN V IN THE SPACE GROUP P2(1)2(1)2(1) Descriptor: HEMOGLOBIN V, PROTOPORPHYRIN IX CONTAINING FE Authors: Heaslet, H.A, Royer Jr, W.E. Deposit date: 2000-06-15 Release date: 2000-08-30 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Crystalline ligand transitions in lamprey hemoglobin. Structural evidence for the regulation of oxygen affinity. J.Biol.Chem., 276, 2001
1F28	CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE FROM PNEUMOCYSTIS CARINII BOUND TO DUMP AND BW1843U89 Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, THYMIDYLATE SYNTHASE Authors: Anderson, A.C, O'Neil, R.H, Surti, T.S, Stroud, R.M. Deposit date: 2000-05-23 Release date: 2001-06-06 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Approaches to solving the rigid receptor problem by identifying a minimal set of flexible residues during ligand docking. Chem.Biol., 8, 2001
2B57	Guanine Riboswitch C74U mutant bound to 2,6-diaminopurine Descriptor: 65-MER, 9H-PURINE-2,6-DIAMINE, ACETATE ION, ... Authors: Gilbert, S.D, Stoddard, C.D, Wise, S.J, Batey, R.T. Deposit date: 2005-09-27 Release date: 2006-05-23 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain. J.Mol.Biol., 359, 2006
3SI4	Human Thrombin In Complex With UBTHR104 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-2-yl)methyl]-L-prolinamide, GLYCEROL, ... Authors: Biela, A, Heine, A, Klebe, G. Deposit date: 2011-06-17 Release date: 2012-06-20 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.27 Å) Cite: Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
2HNV	Crystal Structure of a Dipeptide Complex of the Q58V Mutant of Bovine Neurophysin-I Descriptor: Oxytocin-neurophysin 1, PHENYLALANINE, TYROSINE Authors: Li, X, Lee, H, Wu, J, Breslow, E. Deposit date: 2006-07-13 Release date: 2007-04-24 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Contributions of the interdomain loop, amino terminus, and subunit interface to the ligand-facilitated dimerization of neurophysin: crystal structures and mutation studies of bovine neurophysin-I. Protein Sci., 16, 2007
3HCM	Crystal structure of human S100B in complex with S45 Descriptor: (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine, ACETATE ION, CALCIUM ION, ... Authors: Mangani, S, Cesari, L. Deposit date: 2009-05-06 Release date: 2010-02-02 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Fragmenting the S100B-p53 Interaction: Combined Virtual/Biophysical Screening Approaches to Identify Ligands Chemmedchem, 5, 2010
6BRL	Crystal structure of a glutamate tRNA ligase from Elizabethkingia meningosepticum CCUG26117 in complex with its amino acid Descriptor: 1,2-ETHANEDIOL, GLUTAMIC ACID, Glutamate tRNA ligase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2017-11-30 Release date: 2018-01-17 Last modified: 2024-07-03 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structures of glutamyl-tRNA synthetase from Elizabethkingia anopheles and E. meningosepticum. Acta Crystallogr.,Sect.F, 78, 2022
7P3A	N-terminal domain of CGI-99 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ISOPROPYL ALCOHOL, ... Authors: Kroupova, A, Jinek, M. Deposit date: 2021-07-07 Release date: 2021-12-22 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2 Å) Cite: Molecular architecture of the human tRNA ligase complex. Elife, 10, 2021
3H6U	Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS1493 at 1.85 A resolution Descriptor: (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, CITRATE ANION, GLUTAMIC ACID, ... Authors: Hald, H, Gajhede, M, Kastrup, J.S. Deposit date: 2009-04-24 Release date: 2009-07-28 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2. J.Mol.Biol., 391, 2009
7XYE	The apo structure of Orf1 Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-formimidoyl fortimicin A synthase Authors: Wang, Y.L, Li, T.L. Deposit date: 2022-06-01 Release date: 2023-05-31 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.482 Å) Cite: N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
7XXC	Orf1-glycine-glycylthricin complex Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... Authors: Wang, Y.L, Li, T.L. Deposit date: 2022-05-29 Release date: 2023-05-31 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.989 Å) Cite: N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
1MQI	Crystal Structure of the GluR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine at 1.35 Angstroms Resolution Descriptor: 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, glutamate receptor 2 Authors: Jin, R, Banke, T.G, Mayer, M.L, Traynelis, S.F, Gouaux, E. Deposit date: 2002-09-16 Release date: 2003-08-05 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Structural basis for partial agonist action at ionotropic glutamate receptors Nat.Neurosci., 6, 2003

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