4PJX
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![BU of 4pjx by Molmil](/molmil-images/mine/4pjx) | Structure of human MR1-Ac-6-FP in complex with human MAIT C-A11 TCR | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Birkinshaw, R.W, Rossjohn, J. | Deposit date: | 2014-05-12 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med., 211, 2014
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4PLB
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![BU of 4plb by Molmil](/molmil-images/mine/4plb) | Crystal Structure of S.A. gyrase-AM8191 complex | Descriptor: | 6-[({(1r,4S)-1-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Chimera protein of DNA gyrase subunits B and A, DNA (5'-D(P*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | Authors: | Lu, J, Patel, S, Soisson, S. | Deposit date: | 2014-05-16 | Release date: | 2014-06-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad spectrum antibacterial agents. Acs Med.Chem.Lett., 5, 2014
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5V8K
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![BU of 5v8k by Molmil](/molmil-images/mine/5v8k) | Homodimeric reaction center of H. modesticaldum | Descriptor: | 1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL, 4,4'-Diaponeurosporene, 8(1)-OH-Chlorophyll aF, ... | Authors: | Gisriel, C, Sarrou, I, Ferlez, B, Golbeck, J, Redding, K.E, Fromme, R. | Deposit date: | 2017-03-22 | Release date: | 2017-09-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a symmetric photosynthetic reaction center-photosystem. Science, 357, 2017
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6CDJ
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![BU of 6cdj by Molmil](/molmil-images/mine/6cdj) | HIV-1 wild type protease with GRL-03314A, 6-5-5-ring fused umbrella-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand | Descriptor: | (2aS,4R,4aS,7aS,7bS)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2018-02-08 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis. J. Med. Chem., 61, 2018
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6CDN
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![BU of 6cdn by Molmil](/molmil-images/mine/6cdn) | Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | Authors: | Liu, A, Li, J, Shin, I. | Deposit date: | 2018-02-08 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.055 Å) | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
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3CTI
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6CKN
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![BU of 6ckn by Molmil](/molmil-images/mine/6ckn) | Crystal structure of an AF10 fragment | Descriptor: | Protein AF-10, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-28 | Release date: | 2018-03-21 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural and functional analysis of the DOT1L-AF10 complex reveals mechanistic insights into MLL-AF10-associated leukemogenesis. Genes Dev., 32, 2018
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3JZP
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1RHU
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![BU of 1rhu by Molmil](/molmil-images/mine/1rhu) | CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR | Descriptor: | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID, Caspase-3 | Authors: | Becker, J.W, Rotonda, J, Soisson, S.M. | Deposit date: | 2003-11-14 | Release date: | 2004-05-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis. J.Med.Chem., 47, 2004
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4R29
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![BU of 4r29 by Molmil](/molmil-images/mine/4r29) | Crystal structure of bacterial cysteine methyltransferase effector NleE | Descriptor: | CITRIC ACID, GLYCEROL, S-ADENOSYLMETHIONINE, ... | Authors: | Yao, Q, Chen, J, Hu, L, Zhang, L, Shao, F. | Deposit date: | 2014-08-11 | Release date: | 2014-12-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structure and Specificity of the Bacterial Cysteine Methyltransferase Effector NleE Suggests a Novel Substrate in Human DNA Repair Pathway. Plos Pathog., 10, 2014
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6CMX
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![BU of 6cmx by Molmil](/molmil-images/mine/6cmx) | Human Teneurin 2 extra-cellular region | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Teneurin-2, alpha-D-mannopyranose, ... | Authors: | Shalev-Benami, M, Li, J, Sudhof, T, Skiniotis, G, Arac, D. | Deposit date: | 2018-03-06 | Release date: | 2018-07-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural Basis for Teneurin Function in Circuit-Wiring: A Toxin Motif at the Synapse. Cell, 173, 2018
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3OSY
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2P6Y
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![BU of 2p6y by Molmil](/molmil-images/mine/2p6y) | X-ray structure of the protein Q9KM02_VIBCH from Vibrio cholerae at the resolution 1.63 A. Northeast Structural Genomics Consortium target VcR80. | Descriptor: | Hypothetical protein VCA0587, ZINC ION | Authors: | Kuzin, A.P, Abashidze, M, Jayaraman, S, Chen, C.X, Wang, C, Fang, Y, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-03-19 | Release date: | 2007-06-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | X-ray structure of the protein Q9KM02_VIBCH from Vibrio cholerae at the resolution 1.63 A. To be Published
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3UUE
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![BU of 3uue by Molmil](/molmil-images/mine/3uue) | Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa | Descriptor: | CHLORIDE ION, GLYCEROL, LIP1, ... | Authors: | Xu, T, Xu, J, Hou, S, Liu, J. | Deposit date: | 2011-11-28 | Release date: | 2012-04-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity. J.Struct.Biol., 178, 2012
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3SDD
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2OU2
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![BU of 2ou2 by Molmil](/molmil-images/mine/2ou2) | Acetyltransferase domain of Human HIV-1 Tat interacting protein, 60kDa, isoform 3 | Descriptor: | ACETYL COENZYME *A, Histone acetyltransferase HTATIP, ZINC ION | Authors: | Min, J, Wu, H, Dombrovski, L, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-09 | Release date: | 2007-02-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Crystal Structure of acetyltransferase domain of Human HIV-1 Tat interacting protein in complex with acetylcoenzyme A. To be Published
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6CSF
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![BU of 6csf by Molmil](/molmil-images/mine/6csf) | Crystal structure of sodium/alanine symporter AgcS with D-alanine bound | Descriptor: | D-ALANINE, Monoclonal antibody FAB heavy chain, Monoclonal antibody FAB light chain, ... | Authors: | Ma, J, Reyes, F.E, Gonen, T. | Deposit date: | 2018-03-20 | Release date: | 2019-01-30 | Last modified: | 2019-02-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for substrate binding and specificity of a sodium-alanine symporter AgcS. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6CE5
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4EB1
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![BU of 4eb1 by Molmil](/molmil-images/mine/4eb1) | Hyperstable in-frame insertion variant of antithrombin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III | Authors: | Martinez-Martinez, I, Johnson, D.J.D, Yamasaki, M, Corral, J, Huntington, J.A. | Deposit date: | 2012-03-23 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Type II antithrombin deficiency caused by a large in-frame insertion: structural, functional and pathological relevance. J.Thromb.Haemost., 10, 2012
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6BYM
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![BU of 6bym by Molmil](/molmil-images/mine/6bym) | Crystal structure of the sterol-bound second StART domain of yeast Lam4 | Descriptor: | 25-HYDROXYCHOLESTEROL, Sterol-binding protein | Authors: | Jentsch, J.A, Kiburu, I.N, Wu, J, Pandey, K, Boudker, O, Menon, A.K. | Deposit date: | 2017-12-20 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of sterol binding and transport by a yeast StARkin domain. J. Biol. Chem., 293, 2018
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2PH1
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![BU of 2ph1 by Molmil](/molmil-images/mine/2ph1) | Crystal structure of nucleotide-binding protein AF2382 from Archaeoglobus fulgidus, Northeast Structural Genomics Target GR165 | Descriptor: | Nucleotide-binding protein, ZINC ION | Authors: | Forouhar, F, Abashidze, M, Seetharaman, J, Janjua, H, Fang, Y, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-04-10 | Release date: | 2007-04-24 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of nucleotide-binding protein AF2382 from Archaeoglobus fulgidus. To be Published
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3DZC
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![BU of 3dzc by Molmil](/molmil-images/mine/3dzc) | 2.35 Angstrom resolution structure of WecB (VC0917), a UDP-N-acetylglucosamine 2-epimerase from Vibrio cholerae. | Descriptor: | CALCIUM ION, CHLORIDE ION, UDP-N-acetylglucosamine 2-epimerase | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Kwon, K, Hasseman, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-07-29 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 2.35 Angstrom resolution structure of WecB (VC0917), a UDP-N-acetylglucosamine 2-epimerase from Vibrio cholerae. TO BE PUBLISHED
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7O31
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![BU of 7o31 by Molmil](/molmil-images/mine/7o31) | Crystal structure of the anti-PAS Fab 1.2 in complex with its epitope peptide and the anti-Kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, PAS#1 epitope peptide, anti-Kappa VHH domain, ... | Authors: | Schilz, J, Schiefner, A, Skerra, A. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope. J.Mol.Biol., 433, 2021
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3KGK
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![BU of 3kgk by Molmil](/molmil-images/mine/3kgk) | Crystal structure of ArsD | Descriptor: | Arsenical resistance operon trans-acting repressor arsD | Authors: | Ye, J, Rosen, B.P. | Deposit date: | 2009-10-29 | Release date: | 2010-02-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The 1.4 A crystal structure of the ArsD arsenic metallochaperone provides insights into its interaction with the ArsA ATPase. Biochemistry, 49, 2010
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7ODH
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![BU of 7odh by Molmil](/molmil-images/mine/7odh) | |