4QJ0
 
 | | Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... | | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | | Deposit date: | 2014-06-03 | | Release date: | 2015-04-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
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4B5S
 | | Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with pyruvate | | Descriptor: | 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, COBALT (II) ION, D-Glyceraldehyde, ... | | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | | Deposit date: | 2012-08-07 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
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2WYH
 | | Structure of the Streptococcus pyogenes family GH38 alpha-mannosidase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-MANNOSIDASE, GLYCEROL, ... | | Authors: | Suits, M.D.L, Zhu, Y, Taylor, E.J, Zechel, D.L, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-11-16 | | Release date: | 2010-02-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Kinetic Investigation of Streptococcus Pyogenes Family Gh38 Alpha-Mannosidase
Plos One, 5, 2010
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4MSP
 | | Crystal structure of human peptidyl-prolyl cis-trans isomerase FKBP22 (aka FKBP14) containing two EF-hand motifs | | Descriptor: | CALCIUM ION, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase FKBP14, ... | | Authors: | Boudko, S.P, Ishikawa, Y, Bachinger, H.P. | | Deposit date: | 2013-09-18 | | Release date: | 2013-12-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of human peptidyl-prolyl cis-trans isomerase FKBP22 containing two EF-hand motifs.
Protein Sci., 23, 2014
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3D8Y
 | | RNase A- 5'-Deoxy-5'-N-piperidinothymidine complex | | Descriptor: | 5'-deoxy-5'-piperidin-1-ylthymidine, CITRATE ANION, Ribonuclease pancreatic | | Authors: | Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-05-26 | | Release date: | 2009-02-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation
J.Med.Chem., 52, 2009
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1JFW
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4QPB
 | | Catalytic domain of the antimicrobial peptidase lysostaphin from Staphylococcus simulans crystallized in the absence of phosphate | | Descriptor: | 1,2-ETHANEDIOL, Lysostaphin, ZINC ION | | Authors: | Sabala, I, Jagielska, E, Bardelang, P.T, Czapinska, H, Dahms, S.O, Sharpe, J.A, James, R, Than, M.E, Thomas, N.R, Bochtler, M. | | Deposit date: | 2014-06-22 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans.
Febs J., 281, 2014
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7LC4
 | | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with gamma-lactam YU253911 | | Descriptor: | 1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | van den Akker, F, Kumar, V. | | Deposit date: | 2021-01-09 | | Release date: | 2021-04-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A gamma-lactam siderophore antibiotic effective against multidrug-resistant Pseudomonas aeruginosa, Klebsiella pneumoniae, and Acinetobacter spp.
Eur.J.Med.Chem., 220, 2021
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3ZMD
 | | Crystal structure of AbsC, a MarR family transcriptional regulator from Streptomyces coelicolor | | Descriptor: | 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, CHLORIDE ION, ... | | Authors: | Stevenson, C.E.M, Kock, H, Mootien, S, Davies, S.C, Bibb, M.J, Lawson, D.M. | | Deposit date: | 2013-02-07 | | Release date: | 2013-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Absc, a Marr Family Transcriptional Regulator from Streptomyces Coelicolor
To be Published
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2GUE
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2ZAK
 | | Orthorhombic crystal structure of precursor E. coli isoaspartyl peptidase/L-asparaginase (EcAIII) with active-site T179A mutation | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, L-asparaginase precursor, ... | | Authors: | Michalska, K, Hernandez-Santoyo, A, Jaskolski, M. | | Deposit date: | 2007-10-07 | | Release date: | 2008-03-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal packing of plant-type L-asparaginase from Escherichia coli
Acta Crystallogr.,Sect.D, 64, 2008
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6SHM
 | | An inactive (D136A and D137A) variant of alpha-1,6-mannanase, GH76A of Salegentibacter sp. HEL1_6 in complex with alpha-1,6-mannotetrose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Mutant alpha-1,6-mannanase GH76A, ... | | Authors: | Hehemann, J.H, Solanki, V. | | Deposit date: | 2019-08-07 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Glycoside hydrolase from the GH76 family indicates that marine Salegentibacter sp. Hel_I_6 consumes alpha-mannan from fungi.
Isme J, 2022
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6JMR
 | | CD98hc extracellular domain bound to HBJ127 Fab and MEM-108 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ... | | Authors: | Lee, Y, Nishizawa, T, Kusakizako, T, Oda, K, Ishitani, R, Yokoyama, T, Nakane, T, Shirouzu, M, Nureki, O. | | Deposit date: | 2019-03-13 | | Release date: | 2019-06-19 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM structure of the human L-type amino acid transporter 1 in complex with glycoprotein CD98hc.
Nat.Struct.Mol.Biol., 26, 2019
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4F66
 | | The crystal structure of 6-phospho-beta-glucosidase from Streptococcus mutans UA159 in complex with beta-D-glucose-6-phosphate. | | Descriptor: | 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-glucopyranose, FORMIC ACID, ... | | Authors: | Tan, K, Michalska, K, Hatzos-Skintges, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-05-14 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.479 Å) | | Cite: | GH1-family 6-P-beta-glucosidases from human microbiome lactic acid bacteria.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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4QNA
 | | MST3 IN COMPLEX WITH 2-(4,6-Diamino-1,3,5-triazin-2-yl)phenol | | Descriptor: | 2-(4,6-diamino-1,3,5-triazin-2-yl)phenol, SERINE/THREONINE-PROTEIN KINASE 24 | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-17 | | Release date: | 2015-07-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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1PXL
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine | | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, Cell division protein kinase 2 | | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | | Deposit date: | 2003-07-04 | | Release date: | 2003-12-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
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4QMT
 | | MST3 in complex with HESPERADIN | | Descriptor: | 1,2-ETHANEDIOL, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE, Serine/threonine-protein kinase 24 | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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3ZMG
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND | | Descriptor: | BETA-SECRETASE 1, DIMETHYL SULFOXIDE, N-[3-[(4R)-2-azanylidene-5,5-bis(fluoranyl)-4-methyl-1,3-oxazinan-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide, ... | | Authors: | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M. | | Deposit date: | 2013-02-08 | | Release date: | 2013-05-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Beta-Secretase (Bace1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer'S Disease.
J.Med.Chem., 56, 2013
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2ZOU
 | | Crystal structure of human F-spondin reeler domain (fragment 2) | | Descriptor: | 1,2-ETHANEDIOL, Spondin-1 | | Authors: | Nagae, M, Nogi, T, Takagi, J. | | Deposit date: | 2008-06-07 | | Release date: | 2008-10-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of the F-spondin reeler domain reveals a unique beta-sandwich fold with a deformable disulfide-bonded loop
Acta Crystallogr.,Sect.D, 64, 2008
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4QON
 | | Structure of Bacillus pumilus catalase with catechol bound. | | Descriptor: | CATECHOL, CHLORIDE ION, Catalase, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2014-06-20 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
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2RNE
 | | Solution structure of the second RNA recognition motif (RRM) of TIA-1 | | Descriptor: | Tia1 protein | | Authors: | Takahashi, M, Kuwasako, K, Abe, C, Tsuda, K, Inoue, M, Terada, T, Shirouzu, M, Kobayashi, N, Kigawa, T, Taguchi, S, Guntert, P, Hayashizaki, Y, Tanaka, A, Muto, Y, Yokoyama, S. | | Deposit date: | 2007-12-19 | | Release date: | 2008-11-04 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the second RNA recognition motif (RRM) domain of murine T cell intracellular antigen-1 (TIA-1) and its RNA recognition mode
Biochemistry, 47, 2008
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1JE0
 | | CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH PHOSPHATE AND TRIS MOLECULE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-METHYLTHIOADENOSINE PHOSPHORYLASE, PHOSPHATE ION | | Authors: | Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E. | | Deposit date: | 2001-06-15 | | Release date: | 2001-10-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
J.Biol.Chem., 276, 2001
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4JPJ
 | | Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6 | | Authors: | Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A. | | Deposit date: | 2013-03-19 | | Release date: | 2013-04-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
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4QY9
 | | X-ray structure of the adduct between hen egg white lysozyme and Auoxo3, a cytotoxic gold(III) compound | | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... | | Authors: | Russo Krauss, I, Merlino, A. | | Deposit date: | 2014-07-24 | | Release date: | 2014-11-05 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Interactions of gold-based drugs with proteins: the structure and stability of the adduct formed in the reaction between lysozyme and the cytotoxic gold(iii) compound Auoxo3.
Dalton Trans, 43, 2014
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2DFU
 | | Crystal structure of the 2-hydroxyhepta-2,4-diene-1,7-dioate isomerase from Thermus Thermophilus HB8 | | Descriptor: | probable 2-hydroxyhepta-2,4-diene-1,7-dioate isomerase | | Authors: | Mizutani, H, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-03-03 | | Release date: | 2006-09-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the 2-hydroxyhepta-2,4-diene-1,7-dioate isomerase from Thermus Thermophilus HB8
To be Published
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