3TY7
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![BU of 3ty7 by Molmil](/molmil-images/mine/3ty7) | Crystal Structure of Aldehyde Dehydrogenase family Protein from Staphylococcus aureus | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ... | Authors: | Kim, Y, Joachimiak, G, Jedrzejczak, R, Rubin, E, Ioerger, T, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2011-09-23 | Release date: | 2011-10-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Aldehyde Dehydrogenase family Protein from Staphylococcus aureus To be Published
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3TYN
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![BU of 3tyn by Molmil](/molmil-images/mine/3tyn) | Structure of neuronal nitric oxide synthase heme domain in complex with 2-(((2-(((3S,4S)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)oxy)ethyl)amino)methyl)phenol | Descriptor: | 2-({[2-({(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2011-09-26 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.968 Å) | Cite: | Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 20, 2012
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7OZ2
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![BU of 7oz2 by Molmil](/molmil-images/mine/7oz2) | Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA showing a transient P-pocket | Descriptor: | CADMIUM ION, DNA (28-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3'), ... | Authors: | Martinez, S.E, Singh, A.K, Das, K. | Deposit date: | 2021-06-25 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening. Nat Commun, 12, 2021
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7OTN
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![BU of 7otn by Molmil](/molmil-images/mine/7otn) | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-247 | Descriptor: | (S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | Authors: | Martinez, S.E, Singh, A.K, Gu, W, Das, K. | Deposit date: | 2021-06-10 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design. Eur.J.Med.Chem., 225, 2021
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7OZW
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7OY2
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![BU of 7oy2 by Molmil](/molmil-images/mine/7oy2) | High resolution structure of cytochrome bd-II oxidase from E. coli | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[(2~{E},6~{E},10~{Z},14~{E},18~{E},22~{E},26~{E})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione, CARDIOLIPIN, ... | Authors: | Grund, T.N, Wu, D, Bald, D, Michel, H, Safarian, S. | Deposit date: | 2021-06-23 | Release date: | 2021-12-15 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.06 Å) | Cite: | Mechanistic and structural diversity between cytochrome bd isoforms of Escherichia coli . Proc.Natl.Acad.Sci.USA, 118, 2021
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7OTZ
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![BU of 7otz by Molmil](/molmil-images/mine/7otz) | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-259 | Descriptor: | (S)-2-(2-(6-amino-9H-purin-9-yl)ethoxy)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | Authors: | Martinez, S.E, Singh, A.K, Gu, W, Das, K. | Deposit date: | 2021-06-10 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design. Eur.J.Med.Chem., 225, 2021
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3U9W
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![BU of 3u9w by Molmil](/molmil-images/mine/3u9w) | Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Niegowski, D, Thunnissen, M, Tholander, F, Rinaldo-Matthis, A, Muroya, A, Haeggstrom, J.Z. | Deposit date: | 2011-10-20 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A To be Published
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7P1P
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![BU of 7p1p by Molmil](/molmil-images/mine/7p1p) | Crystal structure of human acetylcholinesterase in complex with (E)-3-hydroxy-6-(3-(4-(4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)-1H-1,2,3-triazol-1-yl)propyl)picolinaldehyde oxime | Descriptor: | (2R,3R,4S,5S,6R)-2-[4-[1-[3-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Ophelie, D.S, Jose, D, Florian, N. | Deposit date: | 2021-07-02 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | A New Class of Bi- and Trifunctional Sugar Oximes as Antidotes against Organophosphorus Poisoning. J.Med.Chem., 65, 2022
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3OLH
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![BU of 3olh by Molmil](/molmil-images/mine/3olh) | Human 3-mercaptopyruvate sulfurtransferase | Descriptor: | 3-mercaptopyruvate sulfurtransferase, SODIUM ION, SULFATE ION | Authors: | Karlberg, T, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-26 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human 3-Mercaptopyruvate Sulfurtransferase To be Published
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3OM3
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![BU of 3om3 by Molmil](/molmil-images/mine/3om3) | Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with K362M mutation in the reduced state | Descriptor: | (2S,3R)-heptane-1,2,3-triol, CADMIUM ION, CALCIUM ION, ... | Authors: | Liu, J, Qin, L, Ferguson-Miller, S. | Deposit date: | 2010-08-26 | Release date: | 2011-02-02 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystallographic and online spectral evidence for role of conformational change and conserved water in cytochrome oxidase proton pump. Proc.Natl.Acad.Sci.USA, 108, 2011
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7OW8
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![BU of 7ow8 by Molmil](/molmil-images/mine/7ow8) | CryoEM structure of the ABC transporter BmrA E504A mutant in complex with ATP-Mg | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | Authors: | Gobet, A, Schoehn, G, Falson, P, Chaptal, V. | Deposit date: | 2021-06-17 | Release date: | 2022-01-19 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Substrate-bound and substrate-free outward-facing structures of a multidrug ABC exporter. Sci Adv, 8, 2022
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3OV9
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![BU of 3ov9 by Molmil](/molmil-images/mine/3ov9) | Structure of the Nucleoprotein from Rift Valley Fever Virus | Descriptor: | NITRITE ION, Nucleoprotein, SODIUM ION | Authors: | Ferron, F, Danek, E.I, Li, Z, Luo, D, Wong, Y.H, Coutard, B, Lantez, V, Charrel, R, Canard, B, Walz, T, Lescar, J. | Deposit date: | 2010-09-16 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The hexamer structure of Rift Valley fever virus nucleoprotein suggests a mechanism for its assembly into ribonucleoprotein complexes Plos Pathog., 7, 2011
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7P1J
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![BU of 7p1j by Molmil](/molmil-images/mine/7p1j) | Cryo EM structure of bison NHA2 in detergent structure | Descriptor: | mitochondrial sodium/hydrogen exchanger 9B2 | Authors: | Matsuoka, R, Fudim, R, Jung, S, Drew, D. | Deposit date: | 2021-07-01 | Release date: | 2022-01-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2. Nat.Struct.Mol.Biol., 29, 2022
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7P1I
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![BU of 7p1i by Molmil](/molmil-images/mine/7p1i) | Cryo EM structure of bison NHA2 in detergent and N-terminal extension helix | Descriptor: | mitochondrial sodium/hydrogen exchanger 9B2 | Authors: | Matsuoka, R, Fudim, R, Jung, S, Drew, D. | Deposit date: | 2021-07-01 | Release date: | 2022-01-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2. Nat.Struct.Mol.Biol., 29, 2022
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3TVK
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![BU of 3tvk by Molmil](/molmil-images/mine/3tvk) | Diguanylate cyclase domain of DgcZ | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), D(-)-TARTARIC ACID, Diguanylate cyclase DgcZ, ... | Authors: | Zaehringer, F, Schirmer, T. | Deposit date: | 2011-09-20 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and signaling mechanism of a zinc-sensory diguanylate cyclase. Structure, 21, 2013
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3TYL
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![BU of 3tyl by Molmil](/molmil-images/mine/3tyl) | Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((2-fluorobenzyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2011-09-26 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 20, 2012
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7PCH
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![BU of 7pch by Molmil](/molmil-images/mine/7pch) | Human carboxyhemoglobin bound to Staphylococcus aureus hemophore IsdB - 1:2 complex | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein B, ... | Authors: | De Bei, O, Gianquinto, E, Chirgadze, D.Y, Hardwick, S.W, Spyrakis, F, Luisi, B.F, Campanini, B. | Deposit date: | 2021-08-03 | Release date: | 2022-04-13 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Cryo-EM structures of staphylococcal IsdB bound to human hemoglobin reveal the process of heme extraction. Proc.Natl.Acad.Sci.USA, 119, 2022
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3PAW
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![BU of 3paw by Molmil](/molmil-images/mine/3paw) | |
7PCQ
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![BU of 7pcq by Molmil](/molmil-images/mine/7pcq) | Human carboxyhemoglobin bound to Staphylococcus aureus hemophore IsdB - 1:1 complex | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein B, ... | Authors: | De Bei, O, Gianquinto, E, Chirgadze, D.Y, Hardwick, S.W, Spyrakis, F, Luisi, B.F, Campanini, B. | Deposit date: | 2021-08-03 | Release date: | 2022-04-13 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Cryo-EM structures of staphylococcal IsdB bound to human hemoglobin reveal the process of heme extraction. Proc.Natl.Acad.Sci.USA, 119, 2022
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3OOJ
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7OU8
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![BU of 7ou8 by Molmil](/molmil-images/mine/7ou8) | Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ... | Authors: | Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L. | Deposit date: | 2021-06-11 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications J.Am.Chem.Soc., 144, 2022
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7PCF
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![BU of 7pcf by Molmil](/molmil-images/mine/7pcf) | Human methemoglobin bound to Staphylococcus aureus hemophore IsdB | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein B, ... | Authors: | De Bei, O, Gianquinto, E, Chirgadze, D.Y, Hardwick, S.W, Spyrakis, F, Luisi, B.F, Campanini, B. | Deposit date: | 2021-08-03 | Release date: | 2022-04-13 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (5.82 Å) | Cite: | Cryo-EM structures of staphylococcal IsdB bound to human hemoglobin reveal the process of heme extraction. Proc.Natl.Acad.Sci.USA, 119, 2022
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3U3L
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![BU of 3u3l by Molmil](/molmil-images/mine/3u3l) | Crystal structure of the selenomethionine derivative of tablysin-15 | Descriptor: | CITRIC ACID, PALMITIC ACID, PRASEODYMIUM ION, ... | Authors: | Andersen, J.F, Xu, X, Ribeiro, J.M. | Deposit date: | 2011-10-06 | Release date: | 2012-02-15 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structure of protein having inhibitory disintegrin and leukotriene scavenging functions contained in single domain. J.Biol.Chem., 287, 2012
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7OLB
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![BU of 7olb by Molmil](/molmil-images/mine/7olb) | Crystal structure of Pab-AGOG, an 8-oxoguanine DNA glycosylase from Pyrococcus abyssi | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ... | Authors: | Coste, F, Goffinont, S, Flament, D, Castaing, B. | Deposit date: | 2021-05-19 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing. Nucleic Acids Res., 50, 2022
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