3W3O
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![BU of 3w3o by Molmil](/molmil-images/mine/3w3o) | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-053 | Descriptor: | 5-[2-(6-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, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Rocha, J.R, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | Deposit date: | 2012-12-27 | Release date: | 2014-01-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-053 To be Published
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4JDB
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![BU of 4jdb by Molmil](/molmil-images/mine/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
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![BU of 4jd4 by Molmil](/molmil-images/mine/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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![BU of 2lgd by Molmil](/molmil-images/mine/2lgd) | |
5AGX
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![BU of 5agx by Molmil](/molmil-images/mine/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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5AGW
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![BU of 5agw by Molmil](/molmil-images/mine/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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1F8T
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![BU of 1f8t by Molmil](/molmil-images/mine/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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1F90
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![BU of 1f90 by Molmil](/molmil-images/mine/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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6KTW
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![BU of 6ktw by Molmil](/molmil-images/mine/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
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![BU of 6ku2 by Molmil](/molmil-images/mine/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
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![BU of 6ktz by Molmil](/molmil-images/mine/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
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![BU of 6ktv by Molmil](/molmil-images/mine/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
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![BU of 6ktx by Molmil](/molmil-images/mine/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
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![BU of 6ku1 by Molmil](/molmil-images/mine/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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5UTS
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![BU of 5uts by Molmil](/molmil-images/mine/5uts) | |
5V1X
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![BU of 5v1x by Molmil](/molmil-images/mine/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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5V12
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![BU of 5v12 by Molmil](/molmil-images/mine/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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1KTL
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![BU of 1ktl by Molmil](/molmil-images/mine/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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1KPR
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![BU of 1kpr by Molmil](/molmil-images/mine/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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1S5I
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![BU of 1s5i by Molmil](/molmil-images/mine/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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5HMC
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![BU of 5hmc by Molmil](/molmil-images/mine/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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5HMB
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![BU of 5hmb by Molmil](/molmil-images/mine/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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4GB2
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![BU of 4gb2 by Molmil](/molmil-images/mine/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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3QRS
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![BU of 3qrs by Molmil](/molmil-images/mine/3qrs) | |
3QP0
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![BU of 3qp0 by Molmil](/molmil-images/mine/3qp0) | HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor | Descriptor: | (4aS,7aS)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease | Authors: | Lindemann, I, Heine, A, Klebe, G. | Deposit date: | 2011-02-11 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Novel inhibitors for HIV-1 protease To be Published
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