4JDB
 
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-005 | | Descriptor: | 5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-02-24 | | Release date: | 2014-02-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-005
To be Published
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4JD4
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-065 | | Descriptor: | 5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-02-23 | | Release date: | 2014-02-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-065
To be Published
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2LGD
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5AGW
 | | Bcl-2 alpha beta-1 complex | | Descriptor: | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11 | | Authors: | Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D. | | Deposit date: | 2015-02-04 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.695 Å) | | Cite: | Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells
J.Am.Chem.Soc., 137, 2015
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5AGX
 | | Bcl-2 alpha beta-1 LINEAR complex | | Descriptor: | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11 | | Authors: | Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D. | | Deposit date: | 2015-02-04 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells
J.Am.Chem.Soc., 137, 2015
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6KTW
 | | structure of EanB with hercynine | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | | Deposit date: | 2019-08-29 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.931 Å) | | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
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6KU2
 | | The structure of EanB/Y353A complex with ergothioneine covalent linked with persulfide Cys412 | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | | Deposit date: | 2019-08-30 | | Release date: | 2020-08-26 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
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6KTZ
 | | The complex structure of EanB/C412S with hercynine | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | | Deposit date: | 2019-08-29 | | Release date: | 2020-08-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
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6KTV
 | | The structure of EanB complex with hercynine and persulfided Cys412 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CHLORIDE ION, ... | | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | | Deposit date: | 2019-08-29 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
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6KTX
 | | The wildtype structure of EanB | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | | Deposit date: | 2019-08-29 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.189 Å) | | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
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6KU1
 | | The structure of EanB/Y353A complex with ergothioneine | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | | Deposit date: | 2019-08-30 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
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1F8T
 | | FAB (LNKB-2) OF MONOCLONAL ANTIBODY, CRYSTAL STRUCTURE | | Descriptor: | ANTIBODY FAB FRAGMENT (HEAVY CHAIN), ANTIBODY FAB FRAGMENT (LIGHT CHAIN) | | Authors: | Fokin, A.V, Afonin, P.V, Mikhailova, I.I, Tsygannik, I.N, Mareeva, T.I. | | Deposit date: | 2000-07-05 | | Release date: | 2001-07-05 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Spatial structure of a Fab-fragment of a monoclonal antibody to human interleukin-2 in two crystalline forms at a resolution of 2.2 and 2.9 angstroms
Bioorg.Khim., 26, 2000
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1KTL
 | | The human non-classical major histocompatibility complex molecule HLA-E | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ... | | Authors: | Holmes, M.A, Strong, R.K. | | Deposit date: | 2002-01-16 | | Release date: | 2003-02-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities
J.Biol.Chem., 278, 2003
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1F90
 | | FAB FRAGMENT OF MONOCLONAL ANTIBODY (LNKB-2) AGAINST HUMAN INTERLEUKIN-2 IN COMPLEX WITH ANTIGENIC PEPTIDE | | Descriptor: | ANTIGENIC NONAPEPTIDE, FAB FRAGMENT OF MONOCLONAL ANTIBODY | | Authors: | Afonin, P.V, Fokin, A.V, Tsigannik, I.N, Mikhailova, I.Y, Onoprienko, L.V, Mikhaleva, I.I, Ivanov, V.T, Mareeva, T.Y, Nesmeyanov, V.A, Li, N, Duax, W.L, Pletnev, V.Z. | | Deposit date: | 2000-07-06 | | Release date: | 2001-07-11 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of an anti-interleukin-2 monoclonal antibody Fab complexed with an antigenic nonapeptide.
Protein Sci., 10, 2001
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1KPR
 | | The human non-classical major histocompatibility complex molecule HLA-E | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ... | | Authors: | Holmes, M.A, Strong, R.K. | | Deposit date: | 2002-01-02 | | Release date: | 2003-02-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities
J.Biol.Chem., 278, 2003
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5V12
 | | Crystal structure of Carbon Sulfoxide lyase, Egt2 Y134F with sulfenic acid intermediate | | Descriptor: | (1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium, FORMIC ACID, Hercynylcysteine sulfoxide lyase | | Authors: | Irani, S, Zhang, Y. | | Deposit date: | 2017-03-01 | | Release date: | 2018-03-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.451 Å) | | Cite: | Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
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5V1X
 | | Carbon Sulfoxide lyase, Egt2 Y134F in complex with its substrate | | Descriptor: | (1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium, FORMIC ACID, Hercynylcysteine sulfoxide lyase | | Authors: | Irani, S, Zhang, Y. | | Deposit date: | 2017-03-02 | | Release date: | 2018-03-07 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.558 Å) | | Cite: | Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
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5UTS
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1S5I
 | | Fab (LNKB-2) of monoclonal antibody to Human Interleukin-2, crystal structure | | Descriptor: | Fab-fragment of monoclonal antibody | | Authors: | Pletnev, V.Z, Goryacheva, E.A, Tsygannik, I.N, Nesmeyanov, V.A, Pletnev, S.V, Pangborn, W, Duax, W. | | Deposit date: | 2004-01-21 | | Release date: | 2004-05-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | [A new crystal form of the Fab fragment of a monoclonal antibody to human interleukin-2: the three-dimensional structure at 2.7 A resolution].
Bioorg. Khim., 30
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5HMB
 | | Crystal structure of S. sahachiroi AziG | | Descriptor: | Azi13, SULFATE ION | | Authors: | Erb, M.S, Zhang, Y, Ealick, S.E. | | Deposit date: | 2016-01-15 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Polyketide Ring Expansion Mediated by a Thioesterase, Chain Elongation and Cyclization Domain, in Azinomycin Biosynthesis: Characterization of AziB and AziG.
Biochemistry, 55, 2016
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5HMC
 | | Crystal structure of S. sahachiroi AziG complexed with 5-methyl naphthoic acid | | Descriptor: | 5-methylnaphthalene-1-carboxylic acid, Azi13, SULFATE ION | | Authors: | Zhang, Y, Erb, M.S, Ealick, S.E. | | Deposit date: | 2016-01-15 | | Release date: | 2016-02-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Polyketide Ring Expansion Mediated by a Thioesterase, Chain Elongation and Cyclization Domain, in Azinomycin Biosynthesis: Characterization of AziB and AziG.
Biochemistry, 55, 2016
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4GB2
 | | HIV-1 protease (mutant Q7K L33I L63I) in complex with a bicyclic pyrrolidine inhibitor | | Descriptor: | (4aS,7aS)-1,4-bis(diphenylmethyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stieler, M, Heine, A, Klebe, G. | | Deposit date: | 2012-07-26 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.788 Å) | | Cite: | Cocrystallization of potent pyrrolidine based HIV-1 protease inhibitors
To be Published
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3QBF
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3QIH
 | | HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor | | Descriptor: | (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease, ... | | Authors: | Lindemann, I, Heine, A, Klebe, G. | | Deposit date: | 2011-01-27 | | Release date: | 2012-02-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Novel inhibitors for HIV-1 protease
To be Published
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3QRO
 | | HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor | | Descriptor: | 4-({(3S,4S)-4-[(3,5-dihydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide, CHLORIDE ION, DITHIANE DIOL, ... | | Authors: | Lindemann, I, Heine, A, Klebe, G. | | Deposit date: | 2011-02-18 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.616 Å) | | Cite: | Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease
To be Published
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