7C14
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![BU of 7c14 by Molmil](/molmil-images/mine/7c14) | Crystal structure of a dinucleotide-binding protein (Q274A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form I) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-02 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
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1S1V
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![BU of 1s1v by Molmil](/molmil-images/mine/1s1v) | Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with TNK-651 | Descriptor: | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors J.Mol.Biol., 336, 2004
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6OLT
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![BU of 6olt by Molmil](/molmil-images/mine/6olt) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-04-17 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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5ID0
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![BU of 5id0 by Molmil](/molmil-images/mine/5id0) | Cetuximab Fab in complex with aminoheptanoic acid-linked meditope | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ... | Authors: | Bzymek, K.P, Williams, J.C. | Deposit date: | 2016-02-23 | Release date: | 2016-06-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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7C0Z
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![BU of 7c0z by Molmil](/molmil-images/mine/7c0z) | Crystal structure of a dinucleotide-binding protein (Y246A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form II) | Descriptor: | 1,2-ETHANEDIOL, Sugar ABC transporter, periplasmic sugar-binding protein, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-01 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
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7C0S
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![BU of 7c0s by Molmil](/molmil-images/mine/7c0s) | Crystal structure of a dinucleotide-binding protein (F79A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form II) | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CARBONATE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-01 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
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3OYC
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![BU of 3oyc by Molmil](/molmil-images/mine/3oyc) | |
7B9Y
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![BU of 7b9y by Molmil](/molmil-images/mine/7b9y) | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 64a | Descriptor: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | Deposit date: | 2020-12-15 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J.Med.Chem., 64, 2021
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3OYN
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![BU of 3oyn by Molmil](/molmil-images/mine/3oyn) | Crystal structure of the PFV N224H mutant intasome bound to magnesium and the INSTI MK2048 | Descriptor: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2010-09-23 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
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7BA0
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![BU of 7ba0 by Molmil](/molmil-images/mine/7ba0) | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 63 | Descriptor: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | Deposit date: | 2020-12-15 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J.Med.Chem., 64, 2021
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6O56
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![BU of 6o56 by Molmil](/molmil-images/mine/6o56) | HNH Nuclease from S. pyogenes Cas9 | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1 | Authors: | Newton, J.C, Lisi, G.P, Jogl, G. | Deposit date: | 2019-03-01 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics. J.Am.Chem.Soc., 142, 2020
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7BB4
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![BU of 7bb4 by Molmil](/molmil-images/mine/7bb4) | Crystal structure of perdeuterated PLL lectin in complex with L-fucose | Descriptor: | GLYCEROL, PLL lectin, alpha-L-fucopyranose, ... | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | Deposit date: | 2020-12-16 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions. Structure, 29, 2021
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5YT7
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![BU of 5yt7 by Molmil](/molmil-images/mine/5yt7) | |
6BMS
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![BU of 6bms by Molmil](/molmil-images/mine/6bms) | Palmitoyltransferase structure | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, DODECYL-BETA-D-MALTOSIDE, PALMITIC ACID, ... | Authors: | Kumar, P, Rajashankar, K. | Deposit date: | 2017-11-15 | Release date: | 2018-01-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.441 Å) | Cite: | Fatty acyl recognition and transfer by an integral membraneS-acyltransferase. Science, 359, 2018
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7JU2
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![BU of 7ju2 by Molmil](/molmil-images/mine/7ju2) | Crystal structure of the monomeric ETV6 PNT domain | Descriptor: | FORMIC ACID, Transcription factor ETV6 | Authors: | Gerak, C.A.N, Kolesnikov, M, Murphy, M.E.P, McIntosh, L.P. | Deposit date: | 2020-08-19 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85002184 Å) | Cite: | Biophysical characterization of the ETV6 PNT domain polymerization interfaces. J.Biol.Chem., 296, 2021
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7C0W
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![BU of 7c0w by Molmil](/molmil-images/mine/7c0w) | Crystal structure of a dinucleotide-binding protein (Y224A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form II) | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, GLYCEROL, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-01 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function. Febs J., 288, 2021
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8CX8
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![BU of 8cx8 by Molmil](/molmil-images/mine/8cx8) | Stx2A1-BTB13086 | Descriptor: | 1,2-ETHANEDIOL, 5-(4-chlorophenyl)furan-2-carboxylic acid, CHLORIDE ION, ... | Authors: | Rudolph, M.J, Li, X.P. | Deposit date: | 2022-05-20 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Stx2A1-BTB13086 To Be Published
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6O8M
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![BU of 6o8m by Molmil](/molmil-images/mine/6o8m) | Crystal Structure of C9S apo Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulated bound to diamide (tetramethylazodicarboxamide). | Descriptor: | N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide, Transcriptional regulator, ArsR family | Authors: | Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P. | Deposit date: | 2019-03-11 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structural basis for persulfide-sensing specificity in a transcriptional regulator. Nat.Chem.Biol., 17, 2021
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7B9Z
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![BU of 7b9z by Molmil](/molmil-images/mine/7b9z) | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 35-(E) | Descriptor: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5, isothiocyanate | Authors: | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | Deposit date: | 2020-12-15 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J.Med.Chem., 64, 2021
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5CVB
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![BU of 5cvb by Molmil](/molmil-images/mine/5cvb) | Crystal structure of the type IX collagen NC2 hetero-trimerization domain with a guest fragment a1a1a1 of type I collagen | Descriptor: | Collagen alpha-1(I) chain,Collagen alpha-1(IX) chain, Collagen alpha-1(I) chain,Collagen alpha-2(IX) chain, Collagen alpha-1(I) chain,Collagen alpha-3(IX) chain, ... | Authors: | Boudko, S.P, Bachinger, H.P. | Deposit date: | 2015-07-25 | Release date: | 2016-08-10 | Last modified: | 2017-07-12 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Structural insight for chain selection and stagger control in collagen. Sci Rep, 6, 2016
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1XIE
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![BU of 1xie by Molmil](/molmil-images/mine/1xie) | |
7UNY
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![BU of 7uny by Molmil](/molmil-images/mine/7uny) | Crystal structure of D2 nanobody in complex with PfCSS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine-rich small secreted protein CSS, ... | Authors: | Scally, S.W, Lim, P.S, Cowman, A.F. | Deposit date: | 2022-04-12 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (4.13 Å) | Cite: | PCRCR complex is essential for invasion of human erythrocytes by Plasmodium falciparum. Nat Microbiol, 7, 2022
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5IQW
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![BU of 5iqw by Molmil](/molmil-images/mine/5iqw) | 1.95A resolution structure of Apo HasAp (R33A) from Pseudomonas aeruginosa | Descriptor: | ACETATE ION, CADMIUM ION, Heme acquisition protein HasAp | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Yao, H, Rivera, M. | Deposit date: | 2016-03-11 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Replacing Arginine 33 for Alanine in the Hemophore HasA from Pseudomonas aeruginosa Causes Closure of the H32 Loop in the Apo-Protein. Biochemistry, 55, 2016
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4YAL
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![BU of 4yal by Molmil](/molmil-images/mine/4yal) | Reduced CYPOR with 2'-AMP | Descriptor: | ADENOSINE-2'-MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Xia, C, Kim, J.J.P. | Deposit date: | 2015-02-17 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Mutants of Cytochrome P450 Reductase Lacking Either Gly-141 or Gly-143 Destabilize Its FMN Semiquinone. J.Biol.Chem., 291, 2016
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6AW5
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![BU of 6aw5 by Molmil](/molmil-images/mine/6aw5) | 1.90A resolution structure of catechol O-methyltransferase (COMT) L136M (hexagonal form) from Nannospalax galili | Descriptor: | CHLORIDE ION, Catechol O-methyltransferase, GLYCEROL, ... | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J. | Deposit date: | 2017-09-05 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution To be published
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