2VVS
 
 | | BtGH84 structure in complex with PUGNAc | | Descriptor: | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GLCNACASE BT_4395 | | Authors: | Macauley, M.S, Bubb, A, Martinez-Fleites, C, Davies, G.J, Vocadlo, D.J. | | Deposit date: | 2008-06-11 | | Release date: | 2008-09-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Elevation of Global O-Glcnac Levels in 3T3-L1 Adipocytes by Selective Inhibition of O-Glcnacase Does not Induce Insulin Resistance
J.Biol.Chem., 283, 2008
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6TCY
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5DPX
 | | 1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases. | | Descriptor: | 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione, Metallo-beta-lactamase L1 type 3, SULFATE ION, ... | | Authors: | Nauton, L, Garau, G, Khan, R, Dideberg, O. | | Deposit date: | 2015-09-14 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-beta-lactamases.
ChemMedChem, 12, 2017
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6HQ7
 | | Structure of EAL Enzyme Bd1971 - cGMP bound form | | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, EAL Enzyme Bd1971, MAGNESIUM ION | | Authors: | Lovering, A.L, Cadby, I.T. | | Deposit date: | 2018-09-24 | | Release date: | 2019-07-31 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Embo J., 38, 2019
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6FIT
 | | FHIT-TRANSITION STATE ANALOG | | Descriptor: | ADENOSINE MONOTUNGSTATE, FRAGILE HISTIDINE TRIAD PROTEIN | | Authors: | Lima, C.D, Klein, M.G, Hendrickson, W.A. | | Deposit date: | 1997-09-25 | | Release date: | 1998-03-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
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4I11
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. | | Descriptor: | Beta-secretase 1, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine, ZINC ION | | Authors: | Bowers, B, Xu, Y, Yuan, S, Probst, G.D, Hom, R.K, Chan, W, Konradi, A.W, Sham, H.L, Zhu, Y.L, Beroza, P, Pan, H, Brecht, E, Yao, N, Lougheed, J, Artis, D.R, Tam, D, Bova, M. | | Deposit date: | 2012-11-19 | | Release date: | 2013-03-06 | | Last modified: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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4KB5
 | | Crystal structure of MycP1 from Mycobacterium smegmatis | | Descriptor: | GLYCEROL, Membrane-anchored mycosin mycp1 | | Authors: | Sun, D.M, He, Y, Tian, C.L. | | Deposit date: | 2013-04-23 | | Release date: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The putative propeptide of MycP1 in mycobacterial type VII secretion system does not inhibit protease activity but improves protein stability.
Protein Cell, 4, 2013
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4LY1
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4M1Z
 | | Crystal structure of MycP1 with the N-terminal propeptide removed | | Descriptor: | Membrane-anchored mycosin mycp1 | | Authors: | Sun, D.M, He, Y, Wang, C.L, Zang, J.Y, Tian, C.L. | | Deposit date: | 2013-08-04 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The putative propeptide of MycP1 in mycobacterial type VII secretion system does not inhibit protease activity but improves protein stability.
Protein Cell, 4, 2013
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4LXZ
 | | Structure of Human HDAC2 in complex with SAHA (vorinostat) | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ... | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2013-07-30 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
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8CRF
 | | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 5E11 refined against anomalous diffraction data | | Descriptor: | Host translation inhibitor nsp1, ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine | | Authors: | Ma, S, Mykhaylyk, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2023-03-08 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1.
Int J Mol Sci, 24, 2023
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8CRM
 | | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11C6 refined against anomalous diffraction data | | Descriptor: | 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine, Host translation inhibitor nsp1 | | Authors: | Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2023-03-08 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1.
Int J Mol Sci, 24, 2023
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8CRK
 | | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2 refined against anomalous diffraction data | | Descriptor: | (1~{R})-1-(4-chlorophenyl)ethanamine, Host translation inhibitor nsp1 | | Authors: | Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2023-03-08 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1.
Int J Mol Sci, 24, 2023
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3ID8
 | | Ternary complex of human pancreatic glucokinase crystallized with activator, glucose and AMP-PNP | | Descriptor: | 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE, Glucokinase, MAGNESIUM ION, ... | | Authors: | Petit, P, Gluais, L, Lagarde, A, Boutin, J.A, Ferry, G, Vuillard, L. | | Deposit date: | 2009-07-20 | | Release date: | 2010-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The active conformation of human glucokinase is not altered by allosteric activators
Acta Crystallogr.,Sect.D, 67, 2011
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3IDH
 | | Human pancreatic glucokinase in complex with glucose | | Descriptor: | Glucokinase, POTASSIUM ION, alpha-D-glucopyranose | | Authors: | Petit, P, Gluais, L, Lagarde, A, Boutin, J.A, Ferry, G, Vuillard, L. | | Deposit date: | 2009-07-21 | | Release date: | 2010-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | The active conformation of human glucokinase is not altered by allosteric activators
Acta Crystallogr.,Sect.D, 67, 2011
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7U8C
 | | Crystal structure of Mesothelin C-terminal peptide-MORAb 15B6 FAB complex | | Descriptor: | MORab 15B6 Fab heavy chain, MORab 15B6 Fab light chain, Mesothelin, ... | | Authors: | Zhan, J, Esser, L, Xia, D. | | Deposit date: | 2022-03-08 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Highly active CAR T cells that bind to a juxtamembrane region of mesothelin and are not blocked by shed mesothelin.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6FTH
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6MH4
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4BQ0
 | | Pseudomonas aeruginosa beta-alanine:pyruvate aminotransferase holoenzyme without divalent cations on dimer-dimer interface | | Descriptor: | BETA-ALANINE--PYRUVATE TRANSAMINASE, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Isupov, M.N, Lebedev, A.A, Westlake, A, Sayer, C, Littlechild, J.A. | | Deposit date: | 2013-05-29 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Space-Group and Origin Ambiguity in Macromolecular Structures with Pseudo-Symmetry and its Treatment with the Program Zanuda.
Acta Crystallogr.,Sect.D, 70, 2014
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6MH5
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8IQ9
 | | Crystal structure of trimeric K2-2 TSP in complex with tetrasaccharide and octasaccharide | | Descriptor: | 1,2-ETHANEDIOL, ACETYL GROUP, K2-2 TSP, ... | | Authors: | Ye, T.J, Ko, T.P, Huang, K.F, Wu, S.H. | | Deposit date: | 2023-03-16 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Klebsiella pneumoniae K2 capsular polysaccharide degradation by a bacteriophage depolymerase does not require trimer formation.
Mbio, 15, 2024
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8IQE
 | | Crystal structure of tetrameric K2-2 TSP | | Descriptor: | GLYCEROL, K2-VCL6 TSP | | Authors: | Ye, T.J, Huang, K.F, Tu, I.F, Lee, I.M, Chang, Y.P, Wu, S.H. | | Deposit date: | 2023-03-16 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Klebsiella pneumoniae K2 capsular polysaccharide degradation by a bacteriophage depolymerase does not require trimer formation.
Mbio, 15, 2024
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8IQ5
 | | Crystal structure of trimeric K2-2 TSP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, GLYCEROL, ... | | Authors: | Ye, T.J, Huang, K.F, Ko, T.P. | | Deposit date: | 2023-03-15 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Klebsiella pneumoniae K2 capsular polysaccharide degradation by a bacteriophage depolymerase does not require trimer formation.
Mbio, 15, 2024
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6SGO
 | | NMR structure of MLP124017 | | Descriptor: | Secreted protein | | Authors: | Barthe, P, de Guillen, K, Padilla, A, Hecker, A. | | Deposit date: | 2019-08-05 | | Release date: | 2019-12-18 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural genomics applied to the rust fungus Melampsora larici-populina reveals two candidate effector proteins adopting cystine knot and NTF2-like protein folds.
Sci Rep, 9, 2019
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4DBL
 | | Crystal structure of E159Q mutant of BtuCDF | | Descriptor: | PHOSPHATE ION, SULFATE ION, Vitamin B12 import ATP-binding protein BtuD, ... | | Authors: | Korkhov, V.M, Mireku, S.M, Hvorup, R.N, Locher, K.P. | | Deposit date: | 2012-01-16 | | Release date: | 2012-03-07 | | Last modified: | 2012-05-23 | | Method: | X-RAY DIFFRACTION (3.493 Å) | | Cite: | Asymmetric states of vitamin B12 transporter BtuCD are not discriminated by its cognate substrate binding protein BtuF.
Febs Lett., 586, 2012
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