9FIF
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![BU of 9fif by Molmil](/molmil-images/mine/9fif) | Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FIL
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![BU of 9fil by Molmil](/molmil-images/mine/9fil) | Crystal Structure of reduced NuoEF variant E222K(NuoF) from Aquifex aeolicus bound to NAD+ | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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8OWC
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9FII
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![BU of 9fii by Molmil](/molmil-images/mine/9fii) | Crystal Structure of oxidized NuoEF variant E222K(NuoF) from Aquifex aeolicus | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FMM
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![BU of 9fmm by Molmil](/molmil-images/mine/9fmm) | Structure of human ACE2 in complex with a fluorinated small molecule inhibitor | Descriptor: | (2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Benoit, R.B, Rodrigues, M.J, Wieser, M.M. | Deposit date: | 2024-06-06 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of radiofluorinated MLN-4760 derivatives for PET imaging of the SARS-CoV-2 entry receptor ACE2 European Journal of Nuclear Medicine and Molecular Imaging, 2024
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8U41
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8U42
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8UX5
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![BU of 8ux5 by Molmil](/molmil-images/mine/8ux5) | |
8WCH
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9FDK
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![BU of 9fdk by Molmil](/molmil-images/mine/9fdk) | Crystal Structure of oxidized NuoEF variant R66G(NuoF) from Aquifex aeolicus | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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1C4S
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![BU of 1c4s by Molmil](/molmil-images/mine/1c4s) | CHONDROITIN-4-SULFATE. THE STRUCTURE OF A SULFATED GLYCOSAMINOGLYCAN | Descriptor: | 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-4-deoxy-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-4-deoxy-beta-D-glucopyranuronic acid, SODIUM ION | Authors: | Arnott, S. | Deposit date: | 1978-05-23 | Release date: | 1980-03-28 | Last modified: | 2024-02-07 | Method: | FIBER DIFFRACTION (3 Å) | Cite: | Chondroitin 4-sulfate: the structure of a sulfated glycosaminoglycan. J.Mol.Biol., 125, 1978
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1D35
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![BU of 1d35 by Molmil](/molmil-images/mine/1d35) | FACILE FORMATION OF A CROSSLINKED ADDUCT BETWEEN DNA AND THE DAUNORUBICIN DERIVATIVE MAR70 MEDIATED BY FORMALDEHYDE: MOLECULAR STRUCTURE OF THE MAR70-D(CGTNACG) COVALENT ADDUC | Descriptor: | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN, DNA (5'-D(*CP*GP*TP*(A40)P*CP*G)-3'), MAGNESIUM ION | Authors: | Gao, Y.-G, Liaw, Y.-C, Li, Y.-K, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J. | Deposit date: | 1991-04-23 | Release date: | 1992-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Facile formation of a crosslinked adduct between DNA and the daunorubicin derivative MAR70 mediated by formaldehyde: molecular structure of the MAR70-d(CGTnACG) covalent adduct. Proc.Natl.Acad.Sci.USA, 88, 1991
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1D36
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![BU of 1d36 by Molmil](/molmil-images/mine/1d36) | FACILE FORMATION OF A CROSSLINKED ADDUCT BETWEEN DNA AND THE DAUNORUBICIN DERIVATIVE MAR70 MEDIATED BY FORMALDEHYDE: MOLECULAR STRUCTURE OF THE MAR70-D(CGTNACG) COVALENT ADDUC | Descriptor: | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), MAGNESIUM ION | Authors: | Gao, Y.-G, Liaw, Y.-C, Li, Y.-K, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J. | Deposit date: | 1991-04-23 | Release date: | 1992-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Facile formation of a crosslinked adduct between DNA and the daunorubicin derivative MAR70 mediated by formaldehyde: molecular structure of the MAR70-d(CGTnACG) covalent adduct. Proc.Natl.Acad.Sci.USA, 88, 1991
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1CN2
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![BU of 1cn2 by Molmil](/molmil-images/mine/1cn2) | SOLUTION STRUCTURE OF TOXIN 2 FROM CENTRUROIDES NOXIUS HOFFMANN, A BETA SCORPION NEUROTOXIN ACTING ON SODIUM CHANNELS, NMR, 15 STRUCTURES | Descriptor: | TOXIN 2 | Authors: | Pintar, A, Possani, L.D, Delepierre, M. | Deposit date: | 1998-06-21 | Release date: | 1999-01-13 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Solution structure of toxin 2 from centruroides noxius Hoffmann, a beta-scorpion neurotoxin acting on sodium channels. J.Mol.Biol., 287, 1999
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1C82
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1DOJ
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![BU of 1doj by Molmil](/molmil-images/mine/1doj) | Crystal structure of human alpha-thrombin*RWJ-51438 complex at 1.7 A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUGEN, ... | Authors: | Recacha, R, Costanzo, M.J, Maryanoff, B.E, Carson, M, DeLucas, L, Chattopadhyay, D. | Deposit date: | 1999-12-21 | Release date: | 2000-11-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of human alpha-thrombin complexed with RWJ-51438 at 1.7 A: unusual perturbation of the 60A-60I insertion loop. Acta Crystallogr.,Sect.D, 56, 2000
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1E3Z
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![BU of 1e3z by Molmil](/molmil-images/mine/1e3z) | Acarbose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.93A | Descriptor: | 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... | Authors: | Brzozowski, A.M, Lawson, D.M, Turkenburg, J.P, Bisgaard-Frantzen, H, Svendsen, A, Borchert, T.V, Dauter, Z, Wilson, K.S, Davies, G.J. | Deposit date: | 2000-06-27 | Release date: | 2001-06-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural Analysis of a Chimeric Bacterial Alpha-Amylase. High Resolution Analysis of Native and Ligand Complexes Biochemistry, 39, 2000
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1E40
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![BU of 1e40 by Molmil](/molmil-images/mine/1e40) | Tris/maltotriose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 2.2A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-AMYLASE, CALCIUM ION, ... | Authors: | Brzozowski, A.M, Lawson, D.M, Turkenburg, J.P, Bisgaard-Frantzen, H, Svendsen, A, Borchert, T.V, Dauter, Z, Wilson, K.S, Davies, G.J. | Deposit date: | 2000-06-27 | Release date: | 2001-06-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Analysis of a Chimeric Bacterial Alpha-Amylase. High Resolution Analysis of Native and Ligand Complexes Biochemistry, 39, 2000
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7QC0
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![BU of 7qc0 by Molmil](/molmil-images/mine/7qc0) | Crystal structure of Cadmium translocating P-type ATPase | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Cadmium translocating P-type ATPase, MAGNESIUM ION | Authors: | Groenberg, C, Hu, Q, Wang, K, Gourdon, P. | Deposit date: | 2021-11-21 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structure and ion-release mechanism of P IB-4 -type ATPases. Elife, 10, 2021
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7QBZ
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![BU of 7qbz by Molmil](/molmil-images/mine/7qbz) | Crystal structure Cadmium translocating P-type ATPase | Descriptor: | Cadmium translocating P-type ATPase, MAGNESIUM ION, TETRAFLUOROALUMINATE ION | Authors: | Groenberg, C, Hu, Q, Wang, K, Gourdon, P. | Deposit date: | 2021-11-21 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure and ion-release mechanism of P IB-4 -type ATPases. Elife, 10, 2021
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4YQY
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![BU of 4yqy by Molmil](/molmil-images/mine/4yqy) | Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028) (TARGET EFI-513936) in its APO form | Descriptor: | MAGNESIUM ION, Putative Dehydrogenase | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-13 | Release date: | 2015-03-25 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028, TARGET EFI-513936) in its APO form To be published
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4OVP
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![BU of 4ovp by Molmil](/molmil-images/mine/4ovp) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1, TARGET EFI-510292, WITH BOUND ALPHA-D-MANURONATE | Descriptor: | C4-dicarboxylate transport system substrate-binding protein, alpha-D-mannopyranuronic acid | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-12-11 | Release date: | 2014-01-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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3T4W
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![BU of 3t4w by Molmil](/molmil-images/mine/3t4w) | The crystal structure of mandelate racemase/muconate lactonizing enzyme from Sulfitobacter sp | Descriptor: | Mandelate racemase/muconate lactonizing enzyme family protein | Authors: | Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-07-26 | Release date: | 2011-08-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.522 Å) | Cite: | The crystal structure of mandelate racemase/muconate lactonizing enzyme from Sulfitobacter sp To be Published
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7MLL
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6Z3Y
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![BU of 6z3y by Molmil](/molmil-images/mine/6z3y) | |