3TCE
 
 | | Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with 5-Hydroxylysine at 2.6 A resolution | | Descriptor: | 5-HYDROXYLYSINE, Dihydrodipicolinate synthase | | Authors: | Shukla, P.K, Kaushik, S, Sinha, M, Kaur, P, Tewari, R, Sharma, S, Singh, T.P. | | Deposit date: | 2011-08-09 | | Release date: | 2011-08-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with 5-Hydroxylysine at 2.6 A resolution
To be Published
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1C0Q
 | | COMPLEX OF VANCOMYCIN WITH 2-ACETOXY-D-PROPANOIC ACID | | Descriptor: | CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ... | | Authors: | Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H. | | Deposit date: | 1999-07-20 | | Release date: | 1999-07-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Vancomycin binding to low-affinity ligands: delineating a minimum set of interactions necessary for high-affinity binding.
J.Med.Chem., 42, 1999
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2O7D
 | | Tyrosine ammonia-lyase from Rhodobacter sphaeroides, complexed with caffeate | | Descriptor: | CAFFEIC ACID, Putative histidine ammonia-lyase | | Authors: | Louie, G.V, Bowman, M.E, Moffitt, M.C, Baiga, T.J, Moore, B.S, Noel, J.P. | | Deposit date: | 2006-12-10 | | Release date: | 2007-01-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases.
Chem.Biol., 13, 2006
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4EXM
 | | The crystal structure of an engineered phage lysin containing the binding domain of pesticin and the killing domain of T4-lysozyme | | Descriptor: | Pesticin, Lysozyme Chimera | | Authors: | Seddiki, N, Noinaj, N, Fairman, J.W, Lukacik, P, Barnard, T.J, Buchanan, S.K. | | Deposit date: | 2012-04-30 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural engineering of a phage lysin that targets Gram-negative pathogens.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1C2Y
 | | CRYSTAL STRUCTURES OF A PENTAMERIC FUNGAL AND AN ICOSAHEDRAL PLANT LUMAZINE SYNTHASE REVEALS THE STRUCTURAL BASIS FOR DIFFERENCES IN ASSEMBLY | | Descriptor: | 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, PROTEIN (LUMAZINE SYNTHASE) | | Authors: | Persson, K, Schneider, G, Jordan, D.B, Viitanen, P.V, Sandalova, T. | | Deposit date: | 1999-07-27 | | Release date: | 2000-07-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure analysis of a pentameric fungal and an icosahedral plant lumazine synthase reveals the structural basis for differences in assembly.
Protein Sci., 8, 1999
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5OJB
 | | Structure of MbQ NMH | | Descriptor: | IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hayashi, T, Pott, M, Mori, T, Mittl, P, Green, A, Hivert, D. | | Deposit date: | 2017-07-21 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.543 Å) | | Cite: | A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold.
J. Am. Chem. Soc., 140, 2018
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3GCI
 | | Crystal Structure of the Complex Formed Between a New Isoform of Phospholipase A2 with C-terminal Amyloid Beta Heptapeptide at 2 A Resolution | | Descriptor: | CALCIUM ION, Heptapeptide from Amyloid beta A4 protein, Phospholipase A2 isoform 3 | | Authors: | Mirza, Z, Vikram, G, Singh, N, Sinha, M, Bhushan, A, Sharma, S, Srinivasan, A, Kaur, P, Singh, T.P. | | Deposit date: | 2009-02-22 | | Release date: | 2009-03-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystal Structure of the Complex Formed Between a New Isoform of Phospholipase A2 with C-terminal Amyloid Beta Heptapeptide at 2 A Resolution
To be Published
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5OF4
 | | The cryo-EM structure of human TFIIH | | Descriptor: | General transcription factor IIH subunit 2, General transcription factor IIH subunit 3, General transcription factor IIH subunit 4,p52,General transcription factor IIH subunit 4, ... | | Authors: | Greber, B.J, Nguyen, T.H.D, Fang, J, Afonine, P.V, Adams, P.D, Nogales, E. | | Deposit date: | 2017-07-10 | | Release date: | 2017-09-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | The cryo-electron microscopy structure of human transcription factor IIH.
Nature, 549, 2017
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6TTN
 | | N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine | | Descriptor: | 1,2-ETHANEDIOL, Hyoscyamine 6 beta-hydroxylase, N-OXALYLGLYCINE, ... | | Authors: | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | | Deposit date: | 2019-12-29 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
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1P17
 | | Hypoxanthine Phosphoribosyltransferase from Trypanosoma cruzi, K68R mutant, complexed with the product IMP | | Descriptor: | INOSINIC ACID, hypoxanthine phosphoribosyltransferase | | Authors: | Medrano, F.J, Eakin, A.E, Craig III, S.P. | | Deposit date: | 2003-04-11 | | Release date: | 2004-05-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Interactions at the dimer interface influence the relative efficiencies for purine nucleotide synthesis and pyrophosphorolysis in a phosphoribosyltransferase.
J.Mol.Biol., 335, 2004
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2WCY
 | | NMR solution structure of factor I-like modules of complement C7. | | Descriptor: | COMPLEMENT COMPONENT C7 | | Authors: | Phelan, M.M, Thai, C.T, Soares, D.C, Ogata, R.T, Barlow, P.N, Bramham, J. | | Deposit date: | 2009-03-17 | | Release date: | 2009-05-19 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Factor I-Like Modules from Complement C7 Reveals a Pair of Follistatin Domains in Compact Pseudosymmetric Arrangement.
J.Biol.Chem., 284, 2009
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2O6Y
 | | Tyrosine ammonia-lyase from Rhodobacter sphaeroides | | Descriptor: | Putative histidine ammonia-lyase | | Authors: | Louie, G.V, Bowman, M.E, Moffitt, M.C, Baiga, T.J, Moore, B.S, Noel, J.P. | | Deposit date: | 2006-12-09 | | Release date: | 2007-01-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases.
Chem.Biol., 13, 2006
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8F09
 | | Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium | | Descriptor: | Dihydrofolate reductase, SULFATE ION | | Authors: | Stogios, P.J, Evdokimova, D, Borek, D, Di Leo, R, Semper, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-11-02 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium
To Be Published
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2VS2
 | | Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor. | | Descriptor: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide | | Authors: | Coates, L, Tuan, H.-F, Tomanicek, S, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | | Deposit date: | 2008-04-17 | | Release date: | 2008-05-27 | | Last modified: | 2023-11-15 | | Method: | NEUTRON DIFFRACTION (2 Å) | | Cite: | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
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2OES
 | | MSrecA-native-SSB | | Descriptor: | PHOSPHATE ION, Protein recA | | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | | Deposit date: | 2007-01-01 | | Release date: | 2007-06-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
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1BYM
 | | SOLUTION STRUCTURES OF THE C-TERMINAL DOMAIN OF DIPHTHERIA TOXIN REPRESSOR | | Descriptor: | PROTEIN (DIPHTHERIA TOXIN REPRESSOR) | | Authors: | Wang, G, Wylie, G.P, Twigg, P.D, Caspar, D.L.D, Murphy, J.R, Logan, T.M. | | Deposit date: | 1998-10-17 | | Release date: | 1998-10-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and peptide binding studies of the C-terminal src homology 3-like domain of the diphtheria toxin repressor protein.
Proc.Natl.Acad.Sci.USA, 96, 1999
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8F45
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a phenyl dimethyl sulfane inhibitor (cyclopropyl ketoamide warhead) | | Descriptor: | (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(2~{S},3~{S})-3-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2022-11-10 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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8F46
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor (cyano warhead) | | Descriptor: | 3C-like proteinase, N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide, TETRAETHYLENE GLYCOL | | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2022-11-10 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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1ZJK
 | | Crystal structure of the zymogen catalytic region of human MASP-2 | | Descriptor: | Mannan-binding lectin serine protease 2 | | Authors: | Gal, P, Harmat, V, Kocsis, A, Bian, T, Barna, L, Ambrus, G, Vegh, B, Balczer, J, Sim, R.B, Naray-Szabo, G, Zavodszky, P. | | Deposit date: | 2005-04-29 | | Release date: | 2005-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | A True Autoactivating Enzyme: Structural insight into mannose-binding lectin-associated serine protease-2 activations
J.Biol.Chem., 280, 2005
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4R4M
 | | Crystal structure of C42L cGMP dependent protein kinase I alpha (PKGI alpha) leucine zipper | | Descriptor: | SULFATE ION, cGMP-dependent protein kinase 1 | | Authors: | Reger, A.S, Guo, E, Yang, M.P, Qin, L, Kim, C. | | Deposit date: | 2014-08-19 | | Release date: | 2015-09-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Structures of cGMP-Dependent Protein Kinase (PKG) I alpha Leucine Zippers Reveal an Interchain Disulfide Bond Important for Dimer Stability.
Biochemistry, 54, 2015
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4JEN
 | | Structure of Clostridium botulinum CMP N-glycosidase, BcmB | | Descriptor: | CMP N-GLYCOSIDASE, PHOSPHATE ION | | Authors: | Sikowitz, M.D, Cooper, L.E, Begley, T.P, Kaminski, P.A, Ealick, S.E. | | Deposit date: | 2013-02-27 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Reversal of the substrate specificity of CMP N-glycosidase to dCMP.
Biochemistry, 52, 2013
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1C26
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1P7V
 | | Structure of a complex formed between Proteinase K and a designed heptapeptide inhibitor Pro-Ala-Pro-Phe-Ala-Ala-Ala at atomic resolution | | Descriptor: | CALCIUM ION, NITRATE ION, inhibitor peptide, ... | | Authors: | Bilgrami, S, Kaur, P, Chandra, V, Banumathi, S, Perbandt, M, Betzel, C, Singh, T.P. | | Deposit date: | 2003-05-06 | | Release date: | 2004-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Structure of a complex formed between Proteinase K and a designed heptapeptide inhibitor Pro-Ala-Pro-Phe-Ala-Ala-Ala at atomic resolution
To be published
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3N7Z
 | | Crystal structure of acetyltransferase from Bacillus anthracis | | Descriptor: | Acetyltransferase, GNAT family, SODIUM ION | | Authors: | Chang, C, Wu, R, Gornicki, P, Zhang, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-05-27 | | Release date: | 2010-06-16 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Biochemical and Structural Analysis of an Eis Family Aminoglycoside Acetyltransferase from Bacillus anthracis.
Biochemistry, 54, 2015
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8F44
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor | | Descriptor: | (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ... | | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2022-11-10 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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