5I58
 
 | | GLUTAMATE- AND GLYCINE-BOUND GLUN1/GLUN2A AGONIST BINDING DOMAINS WITH MPX-004 | | Descriptor: | 5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide, GLUTAMIC ACID, GLYCINE, ... | | Authors: | Mou, T.-C, Sprang, S.R, Hansen, K.B. | | Deposit date: | 2016-02-14 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structural Basis for Negative Allosteric Modulation of GluN2A-Containing NMDA Receptors.
Neuron, 91, 2016
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6Q7U
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1C3B
 | | AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR, BENZO(B)THIOPHENE-2-BORONIC ACID (BZB) | | Descriptor: | BENZO[B]THIOPHENE-2-BORONIC ACID, CEPHALOSPORINASE | | Authors: | Powers, R.A, Blazquez, J, Weston, G.S, Morosini, M.I, Baquero, F, Shoichet, B.K. | | Deposit date: | 1999-07-27 | | Release date: | 1999-11-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The complexed structure and antimicrobial activity of a non-beta-lactam inhibitor of AmpC beta-lactamase.
Protein Sci., 8, 1999
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3B9S
 | | Macrophage Migration Inhibitory Factor (MIF) complexed with Inhibitor, 4-IPP. | | Descriptor: | 4-phenylpyrimidine, GLYCEROL, Macrophage Migration Inhibitory Factor, ... | | Authors: | Zierow, S, Crichlow, G, Lolis, E. | | Deposit date: | 2007-11-06 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A novel, macrophage migration inhibitory factor suicide substrate inhibits motility and growth of lung cancer cells.
Cancer Res., 68, 2008
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4AB7
 | | Crystal structure of a tetrameric acetylglutamate kinase from Saccharomyces cerevisiae complexed with its substrate N- acetylglutamate | | Descriptor: | N-ACETYL-L-GLUTAMATE, PROTEIN ARG5,6, MITOCHONDRIAL | | Authors: | de Cima, S, Gil-Ortiz, F, Crabeel, M, Fita, I, Rubio, V. | | Deposit date: | 2011-12-07 | | Release date: | 2012-05-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Insight on an Arginine Synthesis Metabolon from the Tetrameric Structure of Yeast Acetylglutamate Kinase
Plos One, 7, 2012
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3GPC
 | | Crystal structure of human Acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in a complex with CoA | | Descriptor: | Acyl-coenzyme A synthetase ACSM2A, COENZYME A, MAGNESIUM ION | | Authors: | Pilka, E.S, Kochan, G.T, Yue, W.W, Bhatia, C, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-03-23 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A
J.Mol.Biol., 388, 2009
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5JTY
 | | Glutamate- and DCKA-bound GluN1/GluN2A agonist binding domains with MPX-007 | | Descriptor: | 4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid, 5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide, GLUTAMIC ACID, ... | | Authors: | Mou, T.-C, Sprang, S.R, Hansen, K.B. | | Deposit date: | 2016-05-10 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structural Basis for Negative Allosteric Modulation of GluN2A-Containing NMDA Receptors.
Neuron, 91, 2016
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4TW7
 | | The Fk1 domain of FKBP51 in complex with iFit4 | | Descriptor: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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1FNV
 | | STRUCTURE OF STREPTOCOCCAL PYROGENIC EXOTOXIN A | | Descriptor: | CADMIUM ION, EXOTOXIN TYPE A PRECURSOR (ALLELE 1) | | Authors: | Earhart, C.A, Vath, G.M, Roggiani, M, Schlievert, P.M, Ohlendorf, D.H. | | Deposit date: | 2000-08-23 | | Release date: | 2000-11-17 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure of streptococcal pyrogenic exotoxin A reveals a novel metal cluster.
Protein Sci., 9, 2000
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1FNW
 | | CRYSTAL STRUCTURE OF STREPTOCOCCAL PYROGENIC EXOTOXIN A | | Descriptor: | CADMIUM ION, EXOTOXIN TYPE A PRECURSOR (ALLELE 1) | | Authors: | Earhart, C.A, Vath, G.M, Roggiani, M, Schlivert, P.M, Ohlendorf, D.H. | | Deposit date: | 2000-08-23 | | Release date: | 2000-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structure of streptococcal pyrogenic exotoxin A reveals a novel metal cluster.
Protein Sci., 9, 2000
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6Q7W
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4TUJ
 | | Crystal structure of monoclonal antibody against neuroblastoma associated antigen. | | Descriptor: | Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen, peptide1 | | Authors: | Grudnik, P, Golik, P, Horwacik, I, Zdzalik, M, Rokita, H, Dubin, G. | | Deposit date: | 2014-06-24 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody.
Mol.Cell Proteomics, 14, 2015
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1CEV
 | | ARGINASE FROM BACILLUS CALDOVELOX, NATIVE STRUCTURE AT PH 5.6 | | Descriptor: | MANGANESE (II) ION, PROTEIN (ARGINASE) | | Authors: | Bewley, M.C, Jeffrey, P.D, Patchett, M.L, Kanyo, Z.F, Baker, E.N. | | Deposit date: | 1999-03-12 | | Release date: | 1999-04-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily.
Structure Fold.Des., 7, 1999
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3DD2
 | | Crystal structure of an RNA aptamer bound to human thrombin | | Descriptor: | ACETIC ACID, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Long, S.B, Sullenger, B.A. | | Deposit date: | 2008-06-04 | | Release date: | 2008-11-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of an RNA aptamer bound to thrombin.
Rna, 14, 2008
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3IC2
 | | Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent, INN-266 | | Descriptor: | 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Safo, M.K, Musayev, F.N, Gandhi, A.K, Jorge, P. | | Deposit date: | 2009-07-17 | | Release date: | 2009-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and in Vitro Chracterization of Pyridyl Derivatives of Benzaldehydes: Highly Potent Antisickling Agents
To be Published
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6Q7V
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3IIQ
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4GDK
 | | Crystal Structure of Human Atg12~Atg5 Conjugate in Complex with an N-terminal Fragment of Atg16L1 | | Descriptor: | Autophagy protein 5, Autophagy-related protein 16-1, SODIUM ION, ... | | Authors: | Otomo, C, Metlagel, Z, Takaesu, G, Otomo, T. | | Deposit date: | 2012-07-31 | | Release date: | 2012-12-05 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the human ATG12~ATG5 conjugate required for LC3 lipidation in autophagy.
Nat.Struct.Mol.Biol., 20, 2013
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6C96
 | | Cryo-EM structure of mouse TPC1 channel in the apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | | Authors: | She, J, Guo, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2018-01-25 | | Release date: | 2018-04-04 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into the voltage and phospholipid activation of the mammalian TPC1 channel.
Nature, 556, 2018
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3JZI
 | | Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazole series | | Descriptor: | 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide, Biotin carboxylase | | Authors: | Cheng, C, Shipps, G.W, Yang, Z, Sun, B, Kawahata, N, Soucy, K, Soriano, A, Orth, P, Xiao, L, Mann, P, Black, T. | | Deposit date: | 2009-09-23 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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258L
 | | AN ADAPTABLE METAL-BINDING SITE ENGINEERED INTO T4 LYSOZYME | | Descriptor: | CHLORIDE ION, LYSOZYME, ZINC ION | | Authors: | Wray, J.W, Baase, W.A, Ostheimer, G.J, Matthews, B.W. | | Deposit date: | 1999-01-05 | | Release date: | 2000-09-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Use of a non-rigid region in T4 lysozyme to design an adaptable metal-binding site.
Protein Eng., 13, 2000
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4RLA
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1EPZ
 | | CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOASE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM WITH BOUND LIGAND. | | Descriptor: | DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE, THYMIDINE-5'-DIPHOSPHATE | | Authors: | Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C, Edwards, A.M. | | Deposit date: | 2000-03-30 | | Release date: | 2000-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP.
J.Biol.Chem., 275, 2000
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4TW6
 | | The Fk1 domain of FKBP51 in complex with iFit1 | | Descriptor: | (3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5, ... | | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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1ES7
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