5V6I
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![BU of 5v6i by Molmil](/molmil-images/mine/5v6i) | Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity - Pt derivative | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, PLATINUM (II) ION, ... | Authors: | Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y. | Deposit date: | 2017-03-16 | Release date: | 2017-08-16 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1CIM
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![BU of 1cim by Molmil](/molmil-images/mine/1cim) | THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS | Descriptor: | (4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ... | Authors: | Smith, G.M, Alexander, R.S, Christianson, D.W, Mckeever, B.M, Ponticello, G.S, Springer, J.P, Randall, W.C, Baldwin, J.J, Habecker, C.N. | Deposit date: | 1993-10-20 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors. Protein Sci., 3, 1994
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5V3A
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2E98
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![BU of 2e98 by Molmil](/molmil-images/mine/2e98) | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-629 | Descriptor: | Undecaprenyl pyrophosphate synthetase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | Authors: | Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J. | Deposit date: | 2007-01-24 | Release date: | 2007-06-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases Proc.Natl.Acad.Sci.Usa, 104, 2007
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5N0C
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![BU of 5n0c by Molmil](/molmil-images/mine/5n0c) | Crystal structure of the tetanus neurotoxin in complex with GM1a | Descriptor: | DI(HYDROXYETHYL)ETHER, Tetanus toxin, ZINC ION, ... | Authors: | Masuyer, G, Conrad, J, Stenmark, P. | Deposit date: | 2017-02-02 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structure of the tetanus toxin reveals pH-mediated domain dynamics. EMBO Rep., 18, 2017
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4ALI
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![BU of 4ali by Molmil](/molmil-images/mine/4ali) | Crystal structure of S. aureus FabI in complex with NADP and triclosan (P1) | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Kisker, C. | Deposit date: | 2012-03-04 | Release date: | 2012-05-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality Structure, 20, 2012
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2RU3
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![BU of 2ru3 by Molmil](/molmil-images/mine/2ru3) | Solution structure of c.elegans SUP-12 RRM in complex with RNA | Descriptor: | Protein SUP-12, isoform a, RNA (5'-R(*GP*UP*GP*UP*GP*C)-3') | Authors: | Takahashi, M, Kuwasako, K, Unzai, S, Tsuda, K, Yoshikawa, S, He, F, Kobayashi, N, Guntert, P, Shirouzu, M, Ito, T, Tanaka, A, Yokoyama, S, Hagiwara, M, Kuroyanagi, H, Muto, Y. | Deposit date: | 2013-11-12 | Release date: | 2014-08-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | RBFOX and SUP-12 sandwich a G base to cooperatively regulate tissue-specific splicing Nat.Struct.Mol.Biol., 21, 2014
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5N49
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![BU of 5n49 by Molmil](/molmil-images/mine/5n49) | BRPF2 in complex with Compound 7 | Descriptor: | 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Bromodomain-containing protein 1 | Authors: | Bouche, L, Christ, C.D, Siegel, S, Fernandez-Montalvan, A.E, Holton, S.J, Fedorov, O, ter Laak, A, Sugawara, T, Stoeckigt, D, Tallant, C, Bennett, J, Monteiro, O, Saez, L.D, Siejka, P, Meier, J, Puetter, V, Weiske, J, Mueller, S, Huber, K.V.M, Hartung, I.V, Haendler, B. | Deposit date: | 2017-02-10 | Release date: | 2017-05-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains. J. Med. Chem., 60, 2017
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1JR2
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![BU of 1jr2 by Molmil](/molmil-images/mine/1jr2) | Structure of Uroporphyrinogen III Synthase | Descriptor: | UROPORPHYRINOGEN-III SYNTHASE | Authors: | Mathews, M.A, Schubert, H.L, Whitby, F.G, Alexander, K.J, Schadick, K, Bergonia, H.A, Phillips, J.D, Hill, C.P. | Deposit date: | 2001-08-10 | Release date: | 2001-11-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of human uroporphyrinogen III synthase. EMBO J., 20, 2001
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3BBD
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![BU of 3bbd by Molmil](/molmil-images/mine/3bbd) | M. jannaschii Nep1 complexed with S-adenosyl-homocysteine | Descriptor: | GLYCEROL, Ribosome biogenesis protein NEP1-like, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Taylor, A.B, Meyer, B, Leal, B.Z, Kotter, P, Hart, P.J, Entian, K.-D, Wohnert, J. | Deposit date: | 2007-11-09 | Release date: | 2008-02-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The crystal structure of Nep1 reveals an extended SPOUT-class methyltransferase fold and a pre-organized SAM-binding site. Nucleic Acids Res., 36, 2008
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1PQV
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![BU of 1pqv by Molmil](/molmil-images/mine/1pqv) | RNA polymerase II-TFIIS complex | Descriptor: | DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, DNA-directed RNA polymerase II 140 kDa polypeptide, ... | Authors: | Kettenberger, H, Armache, K.-J, Cramer, P. | Deposit date: | 2003-06-19 | Release date: | 2003-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Architecture of the RNA Polymerase II-TFIIS Complex and Implications for mRNA Cleavage Cell(Cambridge,Mass.), 114, 2003
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3UOV
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![BU of 3uov by Molmil](/molmil-images/mine/3uov) | Crystal Structure of OTEMO (FAD bound form 1) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, OTEMO | Authors: | Shi, R, Matte, A, Cygler, M, Lau, P. | Deposit date: | 2011-11-17 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.045 Å) | Cite: | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
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2RU5
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3UP5
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![BU of 3up5 by Molmil](/molmil-images/mine/3up5) | Crystal Structure of OTEMO complex with FAD and NADP (form 4) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO | Authors: | Shi, R, Matte, A, Cygler, M, Lau, P. | Deposit date: | 2011-11-17 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.453 Å) | Cite: | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
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3BEW
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![BU of 3bew by Molmil](/molmil-images/mine/3bew) | 10mer Crystal Structure of chicken MHC class I haplotype B21 | Descriptor: | 10-mer from Tubulin beta-6 chain, Beta-2-microglobulin, Major histocompatibility complex class I glycoprotein haplotype B21 | Authors: | Koch, M, Camp, S, Collen, T, Avila, D, Salomonsen, J, Wallny, H.J, van Hateren, A, Hunt, L, Jacob, J.P, Johnston, F, Marston, D.A, Shaw, I, Dunbar, P.R, Cerundolo, V, Jones, E.Y, Kaufman, J. | Deposit date: | 2007-11-20 | Release date: | 2008-01-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of an MHC class I molecule from b21 chickens illustrate promiscuous Peptide binding Immunity, 27, 2007
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5UR0
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![BU of 5ur0 by Molmil](/molmil-images/mine/5ur0) | Crystallographic structure of glyceraldehyde-3-phosphate dehydrogenase from Naegleria gruberi | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Machado, A.T.P, Silva, M, Iulek, J. | Deposit date: | 2017-02-09 | Release date: | 2018-03-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural studies of glyceraldehyde-3-phosphate dehydrogenase from Naegleria gruberi, the first one from phylum Percolozoa. Biochim. Biophys. Acta, 1866, 2018
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7EZV
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5N41
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![BU of 5n41 by Molmil](/molmil-images/mine/5n41) | Archaeal DNA polymerase holoenzyme - SSO6202 at 1.35 Ang resolution | Descriptor: | 1,2-ETHANEDIOL, PolB1 Binding Protein 2 | Authors: | Yan, J, Beattie, T.R, Rojas, A.L, Schermerhorn, K, Gristwood, T, Trinidad, J.C, Albers, S.V, Roversi, P, Gardner, A.F, Abrescia, N.G.A, Bell, S.D. | Deposit date: | 2017-02-09 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | Identification and characterization of a heterotrimeric archaeal DNA polymerase holoenzyme. Nat Commun, 8, 2017
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3G5V
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![BU of 3g5v by Molmil](/molmil-images/mine/3g5v) | Antibodies Specifically Targeting a Locally Misfolded Region of Tumor Associated EGFR | Descriptor: | 806 light chain, 808 heavy chain, ACETATE ION, ... | Authors: | Garrett, T.P.J, Burgess, A.W, Huyton, T, Xu, Y. | Deposit date: | 2009-02-05 | Release date: | 2010-02-09 | Last modified: | 2011-10-12 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Antibodies specifically targeting a locally misfolded region of tumor associated EGFR Proc.Natl.Acad.Sci.USA, 106, 2009
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7EY4
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![BU of 7ey4 by Molmil](/molmil-images/mine/7ey4) | Local CryoEM of the SARS-CoV-2 S6PV2 in complex with BD-667 | Descriptor: | BD-667 H, BD-667 L, Spike glycoprotein, ... | Authors: | Liu, P.L. | Deposit date: | 2021-05-29 | Release date: | 2021-09-08 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | Structures of SARS-CoV-2 B.1.351 neutralizing antibodies provide insights into cocktail design against concerning variants. Cell Res., 31, 2021
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1PQQ
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![BU of 1pqq by Molmil](/molmil-images/mine/1pqq) | NMR Structure of a Cyclic Polyamide-DNA Complex | Descriptor: | 45-(3-AMINOPROPYL)-5,11,22,28,34-PENTAMETHYL-3,9,15,20,26,32,38,43-OCTAOXO-2,5,8,14,19,22,25,28,31,34,37,42,45,48-TETRADECAAZA-11-AZONIAHEPTACYCLO[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]DOPENTACONTA-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-DODECAENE, 5'-D(*CP*GP*CP*TP*AP*AP*CP*AP*GP*GP*C)-3', 5'-D(*GP*CP*CP*TP*GP*TP*TP*AP*GP*CP*G)-3' | Authors: | Zhang, Q, Dwyer, T.J, Tsui, V, Case, D.A, Cho, J, Dervan, P.B, Wemmer, D.E. | Deposit date: | 2003-06-18 | Release date: | 2004-06-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR Structure of a Cyclic Polyamide-DNA Complex. J.Am.Chem.Soc., 126, 2004
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3QPL
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![BU of 3qpl by Molmil](/molmil-images/mine/3qpl) | G106W mutant of EthR from Mycobacterium tuberculosis | Descriptor: | HTH-type transcriptional regulator EthR | Authors: | Carette, X, Willery, E, Hoos, S, Lecat-Guillet, N, Frenois, F, Dirie, B, Villeret, V, England, P, Deprez, B, Locht, C, Willand, N, Baulard, A. | Deposit date: | 2011-02-14 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands. Nucleic Acids Res., 40, 2012
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3UU0
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![BU of 3uu0 by Molmil](/molmil-images/mine/3uu0) | Crystal structure of L-rhamnose isomerase from Bacillus halodurans in complex with Mn | Descriptor: | L-rhamnose isomerase, MANGANESE (II) ION | Authors: | Doan, T.T.N, Prabhu, P, Kim, J.K, Jeya, M, Kang, L.W, Lee, J.K. | Deposit date: | 2011-11-27 | Release date: | 2012-02-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based studies on the metal binding of two-metal-dependent sugar isomerases. Febs J., 281, 2014
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2NY7
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![BU of 2ny7 by Molmil](/molmil-images/mine/2ny7) | HIV-1 gp120 Envelope Glycoprotein Complexed with the Broadly Neutralizing CD4-Binding-Site Antibody b12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY b12, HEAVY CHAIN, ... | Authors: | Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D. | Deposit date: | 2006-11-20 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural definition of a conserved neutralization epitope on HIV-1 gp120. Nature, 445, 2007
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4DJZ
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![BU of 4djz by Molmil](/molmil-images/mine/4djz) | Catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold | Descriptor: | Mannan-binding lectin serine protease 1 heavy chain, Mannan-binding lectin serine protease 1 light chain, Protease inhibitor SGPI-2 | Authors: | Heja, D, Harmat, V, Fodor, K, Wilmanns, M, Dobo, J, Kekesi, K.A, Zavodszky, P, Gal, P, Pal, G. | Deposit date: | 2012-02-03 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Monospecific Inhibitors Show That Both Mannan-binding Lectin-associated Serine Protease-1 (MASP-1) and -2 Are Essential for Lectin Pathway Activation and Reveal Structural Plasticity of MASP-2. J.Biol.Chem., 287, 2012
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