4PGE
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![BU of 4pge by Molmil](/molmil-images/mine/4pge) | MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNYPAW | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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5HML
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![BU of 5hml by Molmil](/molmil-images/mine/5hml) | Crystal Structure of T5 D15 Protein Co-crystallized with Metal Ions | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Flemming, C.S, Feng, M, Sedelnikova, S.E, Zhang, J, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J. | Deposit date: | 2016-01-16 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.482 Å) | Cite: | Direct observation of DNA threading in flap endonuclease complexes. Nat.Struct.Mol.Biol., 23, 2016
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4P9H
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1AFZ
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![BU of 1afz by Molmil](/molmil-images/mine/1afz) | |
5E0J
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![BU of 5e0j by Molmil](/molmil-images/mine/5e0j) | 1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (21-mer) inhibitor | Descriptor: | (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate, CHLORIDE ION, Norovirus 3C-like protease | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Weerawarna, P.M, Kim, Y, Kankanamalage, A.C.G, Damalanka, V.C, Lushington, G.H, Alliston, K.R, Chang, K.-O, Groutas, W.C. | Deposit date: | 2015-09-28 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies. Eur.J.Med.Chem., 119, 2016
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4ZHL
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5HIX
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![BU of 5hix by Molmil](/molmil-images/mine/5hix) | Cocrystal structure of an anti-parallel DNA G-quadruplex and a tetra-Quinoline Foldamer | Descriptor: | 4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinoline-2-carboxylic acid, Dimeric G-quadruplex, POTASSIUM ION | Authors: | Mandal, P.K, Baptiste, B, Langlois d'Estaintot, B, Kauffmann, B, Huc, I. | Deposit date: | 2016-01-12 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Multivalent Interactions between an Aromatic Helical Foldamer and a DNA G-Quadruplex in the Solid State. Chembiochem, 17, 2016
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3HS1
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4WSR
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![BU of 4wsr by Molmil](/molmil-images/mine/4wsr) | The crystal structure of hemagglutinin form A/chicken/New York/14677-13/1998 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J. | Deposit date: | 2014-10-28 | Release date: | 2015-02-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and receptor binding preferences of recombinant hemagglutinins from avian and human h6 and h10 influenza a virus subtypes. J.Virol., 89, 2015
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4WSU
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![BU of 4wsu by Molmil](/molmil-images/mine/4wsu) | The crystal structure of hemagglutinin from A/Taiwan/1/2013 in complex with 3'SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J. | Deposit date: | 2014-10-28 | Release date: | 2015-02-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and receptor binding preferences of recombinant hemagglutinins from avian and human h6 and h10 influenza a virus subtypes. J.Virol., 89, 2015
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5E1G
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![BU of 5e1g by Molmil](/molmil-images/mine/5e1g) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T208 | Descriptor: | (2~{S},3~{R},4~{R})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, L,D-transpeptidase 2 | Authors: | Kumar, P, Lamichhane, G, Ginell, S.L. | Deposit date: | 2015-09-29 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5E3C
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![BU of 5e3c by Molmil](/molmil-images/mine/5e3c) | Structure of human DPP3 in complex with hemorphin like opioid peptide IVYPW | Descriptor: | Dipeptidyl peptidase 3, IVYPW, MAGNESIUM ION, ... | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | Deposit date: | 2015-10-02 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.765 Å) | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition. Sci Rep, 6, 2016
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8STD
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![BU of 8std by Molmil](/molmil-images/mine/8std) | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with authentic substrate NaAD and soaked with CS2 | Descriptor: | MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | Authors: | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | Deposit date: | 2023-05-10 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of the LarB-Substrate Complex and Identification of a Reaction Intermediate during Nickel-Pincer Nucleotide Cofactor Biosynthesis. Biochemistry, 62, 2023
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1AF1
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7OXO
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![BU of 7oxo by Molmil](/molmil-images/mine/7oxo) | human LonP1, R-state, incubated in AMPPCP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | Authors: | Abrahams, J.P, Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T. | Deposit date: | 2021-06-22 | Release date: | 2021-12-22 | Last modified: | 2022-11-09 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Catalytic cycling of human mitochondrial Lon protease. Structure, 30, 2022
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1A6B
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![BU of 1a6b by Molmil](/molmil-images/mine/1a6b) | NMR STRUCTURE OF THE COMPLEX BETWEEN THE ZINC FINGER PROTEIN NCP10 OF MOLONEY MURINE LEUKEMIA VIRUS AND A SEQUENCE OF THE PSI-PACKAGING DOMAIN OF HIV-1, 20 STRUCTURES | Descriptor: | DNA (5'-D(*AP*CP*GP*CP*C)-3'), ZINC FINGER PROTEIN NCP10, ZINC ION | Authors: | Schueler, W, Dong, C.-Z, Wecker, K, Roques, B.P. | Deposit date: | 1998-02-23 | Release date: | 1999-08-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of the complex between the zinc finger protein NCp10 of Moloney murine leukemia virus and the single-stranded pentanucleotide d(ACGCC): comparison with HIV-NCp7 complexes. Biochemistry, 38, 1999
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4Z91
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![BU of 4z91 by Molmil](/molmil-images/mine/4z91) | ELIC cocrystallized with isofluorane in a desensitized state | Descriptor: | (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane, 1.7.6 3-bromanylpropan-1-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Chen, Q, Kinde, M.N, Arjunan, P, Cohen, A, Xu, Y, Tang, P. | Deposit date: | 2015-04-09 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3915 Å) | Cite: | Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC. Sci Rep, 5, 2015
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2RP1
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7OTO
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![BU of 7oto by Molmil](/molmil-images/mine/7oto) | The structure of MutS bound to two molecules of AMPPNP | Descriptor: | DNA mismatch repair protein MutS, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Lamers, M.H, Borsellini, A, Friedhoff, P, Kunetsky, V. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryogenic electron microscopy structures reveal how ATP and DNA binding in MutS coordinates sequential steps of DNA mismatch repair. Nat.Struct.Mol.Biol., 29, 2022
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6E52
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5KRV
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![BU of 5krv by Molmil](/molmil-images/mine/5krv) | 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Vibrio vulnificus in complex Arginine | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, ARGININE, ... | Authors: | Ussin, N, Abdulsalam, R.W, Magee, P, Chruszcz, M. | Deposit date: | 2016-07-07 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural characterization of 1-deoxy-D-xylulose 5-phosphate Reductoisomerase from Vibrio vulnificus. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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7OU4
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![BU of 7ou4 by Molmil](/molmil-images/mine/7ou4) | The structure of MutS bound to one molecule of ATP and one molecule of ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein MutS, ... | Authors: | Lamers, M.H, Borsellini, A, Friedhoff, P, Kunetsky, V. | Deposit date: | 2021-06-11 | Release date: | 2022-01-12 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryogenic electron microscopy structures reveal how ATP and DNA binding in MutS coordinates sequential steps of DNA mismatch repair. Nat.Struct.Mol.Biol., 29, 2022
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4PBU
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![BU of 4pbu by Molmil](/molmil-images/mine/4pbu) | Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | Authors: | Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P. | Deposit date: | 2014-04-13 | Release date: | 2014-07-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser. Nature, 513, 2014
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7OU0
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![BU of 7ou0 by Molmil](/molmil-images/mine/7ou0) | The structure of MutS bound to two molecules of ADP-Vanadate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein MutS, MAGNESIUM ION, ... | Authors: | Lamers, M.H, Borsellini, A, Friedhoff, P, Kunetsky, V. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryogenic electron microscopy structures reveal how ATP and DNA binding in MutS coordinates sequential steps of DNA mismatch repair. Nat.Struct.Mol.Biol., 29, 2022
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6TVN
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![BU of 6tvn by Molmil](/molmil-images/mine/6tvn) | Crystal Structure of 5-bromoindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase | Descriptor: | 5-bromanyl-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | Authors: | Brear, P, Wagstaff, J, Hyvonen, M. | Deposit date: | 2020-01-10 | Release date: | 2020-11-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C To Be Published
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