2C4J
 
 | | Human glutathione-S-transferase M2-2 T210S mutant in complex with glutathione-styrene oxide conjugate | | Descriptor: | GLUTATHIONE S-TRANSFERASE MU 2, L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE | | Authors: | Tars, K, Andersson, M, Ivarsson, Y, Olin, B, Mannervik, B. | | Deposit date: | 2005-10-20 | | Release date: | 2005-10-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Alternative Mutations of a Positively Selected Residue Elicit Gain or Loss of Functionalities in Enzyme Evolution.
Proc.Natl.Acad.Sci.USA, 103, 2006
|
|
5AG8
 | | CRYSTAL STRUCTURE OF A MUTANT (665I6H) OF THE C-TERMINAL DOMAIN OF RGPB | | Descriptor: | GINGIPAIN R2, GLYCEROL, SULFATE ION | | Authors: | de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J. | | Deposit date: | 2015-01-29 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Outer-Membrane Export Signal of Porphyromonas Gingivalis Type Ix Secretion System (T9Ss) is a Conserved C-Terminal Beta-Sandwich Domain.
Sci.Rep., 6, 2016
|
|
5AG9
 | | CRYSTAL STRUCTURE OF A MUTANT (665sXa) C-TERMINAL DOMAIN OF RGPB | | Descriptor: | Gingipain R2, SULFATE ION | | Authors: | de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J. | | Deposit date: | 2015-01-29 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain.
Sci Rep, 6, 2016
|
|
1EVL
 | | CRYSTAL STRUCTURE OF A TRUNCATED FORM OF THREONYL-TRNA SYNTHETASE WITH A THREONYL ADENYLATE ANALOG | | Descriptor: | 5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE, THREONYL-TRNA SYNTHETASE, ZINC ION | | Authors: | Sankaranarayanan, R, Dock-Bregeon, A.C, Rees, B, Moras, D. | | Deposit date: | 2000-04-20 | | Release date: | 2000-07-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Zinc ion mediated amino acid discrimination by threonyl-tRNA synthetase.
Nat.Struct.Biol., 7, 2000
|
|
5AHA
 | | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | | Descriptor: | (3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | | Deposit date: | 2015-02-05 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II).
J.Med.Chem., 58, 2015
|
|
1EW9
 | | ALKALINE PHOSPHATASE (E.C. 3.1.3.1) COMPLEX WITH MERCAPTOMETHYL PHOSPHONATE | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, MERCAPTOMETHYL PHOSPHONATE, ... | | Authors: | Holtz, K.M, Stec, B, Meyers, J.K, Antonelli, S.M, Widlanski, T.S, Kantrowitz, E.R. | | Deposit date: | 2000-04-24 | | Release date: | 2002-05-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Alternate modes of binding in two crystal structures of alkaline phosphatase-inhibitor complexes.
Protein Sci., 9, 2000
|
|
5AH9
 | | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | | Descriptor: | (3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, PROTEASE | | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Enstrom, O, Unge, J. | | Deposit date: | 2015-02-05 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II).
J.Med.Chem., 58, 2015
|
|
5I5C
 | | X-ray crystal structure of allo-Thr31-ShK | | Descriptor: | GLYCEROL, Kappa-stichotoxin-She3a, LITHIUM ION, ... | | Authors: | Dang, B, Kubota, T, Manda, K.l, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H. | | Deposit date: | 2016-02-15 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5IA1
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with MLN8054 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2016-02-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.036 Å) | | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
|
|
5I9V
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with AGS | | Descriptor: | Ephrin type-A receptor 2, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2016-02-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.458 Å) | | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
|
|
5IA3
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with PD173955 | | Descriptor: | 6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2016-02-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.788 Å) | | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
|
|
5IB3
 | | Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR and Copper | | Descriptor: | Beta-2-microglobulin, COPPER (II) ION, GLYCEROL, ... | | Authors: | Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B. | | Deposit date: | 2016-02-22 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype.
J.Biol.Chem., 2019
|
|
5I9X
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with bosutinib (SKI-606) | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2016-02-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.427 Å) | | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
|
|
5I5B
 | | quasi racemic structure of allo-Thr13-ShK and D-ShK | | Descriptor: | D-ShK, GLYCEROL, Kappa-stichotoxin-She3a, ... | | Authors: | Dang, B, Kubota, T, Mandal, K, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H. | | Deposit date: | 2016-02-15 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5IB4
 | | Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR and Nickel | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B. | | Deposit date: | 2016-02-22 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype.
J.Biol.Chem., 2019
|
|
5I9W
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with ANP | | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2016-02-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.359 Å) | | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
|
|
5IA5
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with golvatinib (E7050) | | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, golvatinib | | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2016-02-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.776 Å) | | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
|
|
7ZOL
 | | Cryo-EM structure of a CRISPR effector in complex with regulator | | Descriptor: | Cas7-11, TPR-CHAT, ZINC ION, ... | | Authors: | Babatunde, E.E, Davide, T, Bertrand, B, Sergey, N, Alexander, M, Henning, S, Dong, C.N. | | Deposit date: | 2022-04-26 | | Release date: | 2022-11-30 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Structural insights into the regulation of Cas7-11 by TPR-CHAT.
Nat.Struct.Mol.Biol., 30, 2023
|
|
7ZOQ
 | | Cryo-EM structure of a CRISPR effector in complex with a caspase regulator | | Descriptor: | RNA (39-MER), TPR-CHAT, ZINC ION, ... | | Authors: | Babatunde, E.E, Davide, T, Bertrand, B, Sergey, N, Alexander, M, Henning, S, Dong, C.N. | | Deposit date: | 2022-04-26 | | Release date: | 2022-11-30 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into the regulation of Cas7-11 by TPR-CHAT.
Nat.Struct.Mol.Biol., 30, 2023
|
|
4G9B
 | | Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid | | Descriptor: | Beta-phosphoglucomutase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-07-23 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid
To be Published
|
|
4GIR
 | | Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, ethylene glycol and sulfate bound (ordered loops, space group P41212) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Enolase, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-08-08 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, ethylene glycol and sulfate bound (ordered loops, space group P41212)
To be Published
|
|
4GME
 | | Crystal structure of mannonate dehydratase (target EFI-502209) from caulobacter crescentus cb15 complexed with magnesium and d-mannonate | | Descriptor: | CARBONATE ION, CHLORIDE ION, D-MANNONIC ACID, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-08-15 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Mannonate Dehydratase from Caulobacter Crescentus Cb15
To be Published
|
|
4GLT
 | | Crystal structure of glutathione s-transferase MFLA_2116 (target EFI-507160) from methylobacillus flagellatus kt with gsh bound | | Descriptor: | GLUTATHIONE, Glutathione S-transferase-like protein | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-08-14 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of glutathione s-transferase MFLA_2116 (target EFI-507160) from methylobacillus flagellatus kt with gsh bound
To be Published
|
|
4UV6
 | |
4G8T
 | | Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target EFI-502312, with sodium and sulfate bound, ordered loop | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-07-23 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target efi-502312, with sodium and sulfate bound, ordered loop
TO BE PUBLISHED
|
|
