1A8S
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![BU of 1a8s by Molmil](/molmil-images/mine/1a8s) | CHLOROPEROXIDASE F/PROPIONATE COMPLEX | Descriptor: | CHLOROPEROXIDASE F, PROPANOIC ACID, SULFATE ION | Authors: | Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J. | Deposit date: | 1998-03-27 | Release date: | 1998-06-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural investigation of the cofactor-free chloroperoxidases. J.Mol.Biol., 279, 1998
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8CGA
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![BU of 8cga by Molmil](/molmil-images/mine/8cga) | Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Toth, Z.S, Benedek, A, Leveles, I, Vertessy, B.G. | Deposit date: | 2023-02-03 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant To Be Published
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8EQA
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![BU of 8eqa by Molmil](/molmil-images/mine/8eqa) | Crystal structure of human anti-N1 neuraminidase 2H08 Fab | Descriptor: | 2H08 Fab heavy chain, 2H08 Fab light chain, ZINC ION | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2022-10-07 | Release date: | 2023-08-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo. Immunity, 56, 2023
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8EQC
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![BU of 8eqc by Molmil](/molmil-images/mine/8eqc) | Crystal structure of human anti-N1 neuraminidase 3H03 Fab | Descriptor: | 3H03 Fab heavy chain, 3H03 Fab light chain, PHOSPHATE ION | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2022-10-07 | Release date: | 2023-08-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo. Immunity, 56, 2023
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8QJR
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![BU of 8qjr by Molmil](/molmil-images/mine/8qjr) | BRG1 bromodomain in complex with VBC via compound 17 | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ... | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | Deposit date: | 2023-09-13 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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3CFE
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![BU of 3cfe by Molmil](/molmil-images/mine/3cfe) | Crystal structure of purple-fluorescent antibody EP2-25C10 | Descriptor: | GLYCEROL, PURPLE-FLUORESCENT ANTIBODY EP2-25C10-IGG2B HEAVY CHAIN, PURPLE-FLUORESCENT ANTIBODY EP2-25C10-KAPPA LIGHT CHAIN, ... | Authors: | Debler, E.W, Heine, A, Wilson, I.A. | Deposit date: | 2008-03-03 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Deeply inverted electron-hole recombination in a luminescent antibody-stilbene complex. Science, 319, 2008
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8QJT
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![BU of 8qjt by Molmil](/molmil-images/mine/8qjt) | BRM (SMARCA2) Bromodomain in complex with ligand 10 | Descriptor: | 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol, CHLORIDE ION, Probable global transcription activator SNF2L2, ... | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | Deposit date: | 2023-09-13 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.568 Å) | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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6TNK
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![BU of 6tnk by Molmil](/molmil-images/mine/6tnk) | |
4RE6
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![BU of 4re6 by Molmil](/molmil-images/mine/4re6) | Acylaminoacyl peptidase complexed with a chloromethylketone inhibitor | Descriptor: | Acylamino-acid-releasing enzyme, CHLORIDE ION, N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide | Authors: | Menyhard, D.K, Orgovan, Z, Szeltner, Z, Szamosi, I, Harmat, V. | Deposit date: | 2014-09-22 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Catalytically distinct states captured in a crystal lattice: the substrate-bound and scavenger states of acylaminoacyl peptidase and their implications for functionality. Acta Crystallogr.,Sect.D, 71, 2015
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4RFB
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![BU of 4rfb by Molmil](/molmil-images/mine/4rfb) | 1.93 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with Sialyl-Lewis X. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E.V, Halavaty, A, Dubrovska, I, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-09-25 | Release date: | 2014-10-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | 1.93 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with Sialyl-Lewis X. TO BE PUBLISHED
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6PZD
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![BU of 6pzd by Molmil](/molmil-images/mine/6pzd) | |
6TGG
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![BU of 6tgg by Molmil](/molmil-images/mine/6tgg) | scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar | Descriptor: | 1,2-ETHANEDIOL, Mucin-1, ScFv_SM3, ... | Authors: | Bermejo, I.A, Navo, C.D, Castro-Lopez, J, Samchez-Fernandez, E.M, Guerreiro, A, Avenoza, A, Busto, J.H, Garcia-Martin, F, Nishimura, S.I, Garcia-Fernandez, J.M, Ortiz-Mellet, C, Bernardes, G.J.L, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F. | Deposit date: | 2019-11-15 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, conformational analysis and in vivo assays of an anti-cancer vaccine that features an unnatural antigen based on an sp 2 -iminosugar fragment. Chem Sci, 11, 2020
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7W1D
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![BU of 7w1d by Molmil](/molmil-images/mine/7w1d) | Crystal structure of Klebsiella pneumoniae K1 capsule-specific polysaccharide lyase in a C2 crystal form | Descriptor: | CARBONATE ION, CITRIC ACID, K1 LYASE | Authors: | Tu, I.F, Ko, T.P, Huang, K.F, Wu, S.H. | Deposit date: | 2021-11-19 | Release date: | 2022-05-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural and biological insights into Klebsiella pneumoniae surface polysaccharide degradation by a bacteriophage K1 lyase: implications for clinical use. J.Biomed.Sci., 29, 2022
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8TGO
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![BU of 8tgo by Molmil](/molmil-images/mine/8tgo) | Crystal structure of the BG505 triple tandem trimer gp140 HIV-1 Env in complex with PGT124 and 35O22 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv, ... | Authors: | Xian, Y, Yuan, M, Wilson, I.A. | Deposit date: | 2023-07-12 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (5.75 Å) | Cite: | Triple tandem trimer immunogens for HIV-1 and influenza nucleic acid-based vaccines. Npj Vaccines, 9, 2024
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6PZE
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1DLF
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![BU of 1dlf by Molmil](/molmil-images/mine/1dlf) | HIGH RESOLUTION CRYSTAL STRUCTURE OF THE FV FRAGMENT FROM AN ANTI-DANSYL SWITCH VARIANT ANTIBODY IGG2A(S) CRYSTALLIZED AT PH 5.25 | Descriptor: | ANTI-DANSYL IMMUNOGLOBULIN IGG2A(S), SULFATE ION | Authors: | Nakasako, M, Takahashi, H, Shimada, I, Arata, Y. | Deposit date: | 1998-07-14 | Release date: | 1999-07-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The pH-dependent structural variation of complementarity-determining region H3 in the crystal structures of the Fv fragment from an anti-dansyl monoclonal antibody. J.Mol.Biol., 291, 1999
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8ER5
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![BU of 8er5 by Molmil](/molmil-images/mine/8er5) | Crystal Structure of NlpC/P60 domain from Clostridium innocuum NlpC/P60 domain-containing protein CI_01448. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, NlpC/P60 domain-containing protein, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-10-11 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of NlpC/P60 domain from Clostridium innocuum NlpC/P60 domain-containing protein CI_01448. To Be Published
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5NJG
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![BU of 5njg by Molmil](/molmil-images/mine/5njg) | Structure of an ABC transporter: part of the structure that could be built de novo | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ... | Authors: | Taylor, N.M.I, Manolaridis, I, Jackson, S.M, Kowal, J, Stahlberg, H, Locher, K.P. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Structure of the human multidrug transporter ABCG2. Nature, 546, 2017
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3CEP
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![BU of 3cep by Molmil](/molmil-images/mine/3cep) | Structure of a tryptophan synthase quinonoid intermediate | Descriptor: | 3-hydroxy-2-iminopropanoic acid, CESIUM ION, INDOLINE, ... | Authors: | Barends, T.R.M, Domratcheva, T, Kulik, V, Blumenstein, L, Dunn, M.F, Schlichting, I. | Deposit date: | 2008-02-29 | Release date: | 2008-04-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and mechanistic implications of a tryptophan synthase quinonoid intermediate. Chembiochem, 9, 2008
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4R47
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![BU of 4r47 by Molmil](/molmil-images/mine/4r47) | Racemic crystal structure of a bimolecular DNA G-quadruplex (P21/n) | Descriptor: | 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', MAGNESIUM ION, POTASSIUM ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2014-08-19 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Racemic DNA crystallography. Angew.Chem.Int.Ed.Engl., 53, 2014
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6PF0
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![BU of 6pf0 by Molmil](/molmil-images/mine/6pf0) | |
6PEZ
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![BU of 6pez by Molmil](/molmil-images/mine/6pez) | |
4R5L
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![BU of 4r5l by Molmil](/molmil-images/mine/4r5l) | Crystal structure of the DnaK C-terminus (Dnak-SBD-C) | Descriptor: | CALCIUM ION, Chaperone protein DnaK, PHOSPHATE ION, ... | Authors: | Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L. | Deposit date: | 2014-08-21 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9701 Å) | Cite: | Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket. Acs Chem.Biol., 9, 2014
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8EVO
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![BU of 8evo by Molmil](/molmil-images/mine/8evo) | |
1AGU
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![BU of 1agu by Molmil](/molmil-images/mine/1agu) | THE SOLUTION NMR STRUCTURE OF THE C10R ADDUCT OF BENZO[A]PYRENE-DIOL-EPOXIDE AT THE N6 POSITION OF ADENINE OF AN 11 BASE-PAIR OLIGONUCLEOTIDE SEQUENCE CODING FOR AMINO ACIDS 60-62 OF THE PRODUCT OF THE N-RAS PROTOONCOGENE, MINIMIZED AVERAGE STRUCTURE | Descriptor: | DNA (5'-D(*CP*GP*GP*AP*CP*EP*AP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3') | Authors: | Zegar, I.S, Stone, M.P. | Deposit date: | 1997-03-25 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Adduction of the human N-ras codon 61 sequence with (-)-(7S,8R,9R,10S)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a] pyrene: structural refinement of the intercalated SRSR(61,2) (-)-(7S,8R,9S,1 0R)-N6-[10-(7,8,9,10- tetrahydrobenzo[a]pyrenyl)]-2'-deoxyadenosyl adduct from 1H NMR Biochemistry, 35, 1996
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