1TFJ
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![BU of 1tfj by Molmil](/molmil-images/mine/1tfj) | Crystal structure of Bovine Glycolipid transfer protein in complex with a fatty acid | Descriptor: | CHLORIDE ION, DECANOIC ACID, GLYCEROL, ... | Authors: | Airenne, T.T, Kidron, H, West, G, Nymalm, Y, Mattjus, P, Salminen, T.A. | Deposit date: | 2004-05-27 | Release date: | 2005-08-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural evidence for adaptive ligand binding of glycolipid transfer protein. J.Mol.Biol., 355, 2006
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1US8
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![BU of 1us8 by Molmil](/molmil-images/mine/1us8) | The Rad50 signature motif: essential to ATP binding and biological function | Descriptor: | DNA DOUBLE-STRAND BREAK REPAIR RAD50 ATPASE | Authors: | Moncalian, G, Lengsfeld, B, Bhaskara, V, Hopfner, K.P, Karcher, A, Alden, E, Tainer, J.A, Paull, T.T. | Deposit date: | 2003-11-20 | Release date: | 2003-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Rad50 Signature Motif: Essential to ATP Binding and Biological Function J.Mol.Biol., 335, 2004
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1T38
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![BU of 1t38 by Molmil](/molmil-images/mine/1t38) | HUMAN O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE BOUND TO DNA CONTAINING O6-METHYLGUANINE | Descriptor: | 5'-D(*GP*CP*CP*AP*TP*GP*(6OG)P*CP*TP*AP*GP*TP*A)-3', 5'-D(*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*GP*C)-3', Methylated-DNA--protein-cysteine methyltransferase | Authors: | Daniels, D.S, Woo, T.T, Luu, K.X, Noll, D.M, Clarke, N.D, Pegg, A.E, Tainer, J.A. | Deposit date: | 2004-04-25 | Release date: | 2004-07-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | DNA binding and nucleotide flipping by the human DNA repair protein AGT. Nat.Struct.Mol.Biol., 11, 2004
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1UN1
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![BU of 1un1 by Molmil](/molmil-images/mine/1un1) | Xyloglucan endotransglycosylase native structure. | Descriptor: | GOLD ION, XYLOGLUCAN ENDOTRANSGLYCOSYLASE, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Johansson, P, Brumer, H, Kallas, A, Henriksson, H, Denman, S, Teeri, T.T, Jones, T.A. | Deposit date: | 2003-09-03 | Release date: | 2004-03-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of a Poplar Xyloglucan Endotransglycosylase Reveal Details of Transglycosylation Acceptor Binding Plant Cell, 16, 2004
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1URA
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![BU of 1ura by Molmil](/molmil-images/mine/1ura) | ALKALINE PHOSPHATASE (D51ZN) | Descriptor: | ALKALINE PHOSPHATASE, PHOSPHATE ION, ZINC ION | Authors: | Tibbitts, T.T, Murphy, J.E, Kantrowitz, E.R. | Deposit date: | 1996-02-03 | Release date: | 1996-07-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Kinetic and structural consequences of replacing the aspartate bridge by asparagine in the catalytic metal triad of Escherichia coli alkaline phosphatase. J.Mol.Biol., 257, 1996
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1URB
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![BU of 1urb by Molmil](/molmil-images/mine/1urb) | ALKALINE PHOSPHATASE (N51MG) | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Tibbitts, T.T, Murphy, J.E, Kantrowitz, E.R. | Deposit date: | 1996-02-03 | Release date: | 1996-07-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Kinetic and structural consequences of replacing the aspartate bridge by asparagine in the catalytic metal triad of Escherichia coli alkaline phosphatase. J.Mol.Biol., 257, 1996
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1T0U
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![BU of 1t0u by Molmil](/molmil-images/mine/1t0u) | Crystal structure of E.coli uridine phosphorylase at 2.2 A resolution (Type-A Native) | Descriptor: | Uridine phosphorylase | Authors: | Caradoc-Davies, T.T, Cutfield, S.M, Lamont, I.L, Cutfield, J.F. | Deposit date: | 2004-04-13 | Release date: | 2004-04-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of escherichia coli uridine phosphorylase in two native and three complexed forms reveal basis of substrate specificity, induced conformational changes and influence of potassium J.Mol.Biol., 337, 2004
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1T39
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![BU of 1t39 by Molmil](/molmil-images/mine/1t39) | HUMAN O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALENTLY CROSSLINKED TO DNA | Descriptor: | 5'-D(*GP*CP*CP*AP*TP*GP*(E1X)P*CP*TP*AP*GP*TP*A)-3', 5'-D(*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*GP*C)-3', Methylated-DNA--protein-cysteine methyltransferase | Authors: | Daniels, D.S, Woo, T.T, Luu, K.X, Noll, D.M, Clarke, N.D, Pegg, A.E, Tainer, J.A. | Deposit date: | 2004-04-25 | Release date: | 2004-07-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | DNA binding and nucleotide flipping by the human DNA repair protein AGT. Nat.Struct.Mol.Biol., 11, 2004
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1VYO
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![BU of 1vyo by Molmil](/molmil-images/mine/1vyo) | |
4BVG
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![BU of 4bvg by Molmil](/molmil-images/mine/4bvg) | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH NATIVE ALKYLIMIDATE FORMED FROM ACETYL-LYSINE ACS2-PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX-527 | Descriptor: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE, 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, ... | Authors: | Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. | Deposit date: | 2013-06-25 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ex-527 inhibits Sirtuins by exploiting their unique NAD+-dependent deacetylation mechanism. Proc. Natl. Acad. Sci. U.S.A., 110, 2013
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4C7B
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![BU of 4c7b by Molmil](/molmil-images/mine/4c7b) | Complex of human Sirt3 with Bromo-Resveratrol and Fluor-De-Lys peptide | Descriptor: | 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. | Deposit date: | 2013-09-20 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism. Chem.Biol., 20, 2013
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4C78
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![BU of 4c78 by Molmil](/molmil-images/mine/4c78) | Complex of human Sirt3 with Bromo-Resveratrol and ACS2 peptide | Descriptor: | 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ... | Authors: | Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. | Deposit date: | 2013-09-19 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism. Chem.Biol., 20, 2013
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4DBH
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![BU of 4dbh by Molmil](/molmil-images/mine/4dbh) | Crystal structure of Cg1458 with inhibitor | Descriptor: | 2-HYDROXYHEPTA-2,4-DIENE-1,7-DIOATE ISOMERASE, MAGNESIUM ION, OXALATE ION | Authors: | Ran, T.T, Wang, W.W, Xu, D.Q, Gao, Y.Y. | Deposit date: | 2012-01-15 | Release date: | 2012-11-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structures of Cg1458 reveal a catalytic lid domain and a common catalytic mechanism for FAH family. Biochem.J., 449, 2013
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4ELK
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![BU of 4elk by Molmil](/molmil-images/mine/4elk) | Crystal structure of the Hy19.3 type II NKT TCR | Descriptor: | ACETATE ION, FORMIC ACID, Hy19.3 TCR alpha chain (mouse variable domain, ... | Authors: | Girardi, E, Maricic, I, Wang, J, Mac, T.T, Iyer, P, Kumar, V, Zajonc, D.M. | Deposit date: | 2012-04-10 | Release date: | 2012-07-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Type II natural killer T cells use features of both innate-like and conventional T cells to recognize sulfatide self antigens. Nat.Immunol., 13, 2012
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4DV9
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![BU of 4dv9 by Molmil](/molmil-images/mine/4dv9) | Crystal structure of BACE1 with its inhibitor | Descriptor: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-AMINO-3-OXOPROPYL)-2,13-DIBENZYL-12,22-DIHYDROXY-3,5,17-TRIMETHYL-8-(2-METHYLPROPYL)-4,7,10,15,18,21-HEXAOXO-19-(PROPAN-2-YL)-3,6,9,14,17,20-HEXAAZATRICOSAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE (NON-PREFERRED NAME), SULFATE ION | Authors: | Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T. | Deposit date: | 2012-02-23 | Release date: | 2013-01-16 | Last modified: | 2021-09-15 | Method: | X-RAY DIFFRACTION (2.076 Å) | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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4DBF
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![BU of 4dbf by Molmil](/molmil-images/mine/4dbf) | Crystal structures of Cg1458 | Descriptor: | 2-HYDROXYHEPTA-2,4-DIENE-1,7-DIOATE ISOMERASE, MAGNESIUM ION | Authors: | Ran, T.T, Xu, D.Q, Wang, W.W, Gao, Y.Y, Wang, M.T. | Deposit date: | 2012-01-15 | Release date: | 2012-11-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of Cg1458 reveal a catalytic lid domain and a common catalytic mechanism for FAH family. Biochem.J., 449, 2013
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4DON
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![BU of 4don by Molmil](/molmil-images/mine/4don) | Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon | Descriptor: | 3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D.Y, Chen, W.Y, Chen, T.T, Xu, Y.C, Shen, J.K. | Deposit date: | 2012-02-09 | Release date: | 2013-02-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon To be Published
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4BV3
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![BU of 4bv3 by Molmil](/molmil-images/mine/4bv3) | CRYSTAL STRUCTURE OF SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND NAD | Descriptor: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, ... | Authors: | Gertz, M, Nguyen, N.T.T, Weyand, M, Steegborn, C. | Deposit date: | 2013-06-24 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
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4E0I
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![BU of 4e0i by Molmil](/molmil-images/mine/4e0i) | Crystal structure of the C30S/C133S mutant of Erv1 from Saccharomyces cerevisiae | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Mitochondrial FAD-linked sulfhydryl oxidase ERV1 | Authors: | Guo, P.C, Ma, J.D, Jiang, Y.L, Wang, S.J, Hu, T.T, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2012-03-04 | Release date: | 2012-08-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of yeast sulfhydryl oxidase erv1 reveals electron transfer of the disulfide relay system in the mitochondrial intermembrane space J.Biol.Chem., 287, 2012
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4E0H
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![BU of 4e0h by Molmil](/molmil-images/mine/4e0h) | Crystal structure of FAD binding domain of Erv1 from Saccharomyces cerevisiae | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Mitochondrial FAD-linked sulfhydryl oxidase ERV1 | Authors: | Guo, P.C, Ma, J.D, Jiang, Y.L, Wang, S.J, Hu, T.T, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2012-03-04 | Release date: | 2012-08-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of yeast sulfhydryl oxidase erv1 reveals electron transfer of the disulfide relay system in the mitochondrial intermembrane space J.Biol.Chem., 287, 2012
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4DVF
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![BU of 4dvf by Molmil](/molmil-images/mine/4dvf) | Crystal structure of BACE1 with its inhibitor | Descriptor: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-8-(2-METHYLPROPYL)-15-(3-[(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE | Authors: | Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T. | Deposit date: | 2012-02-23 | Release date: | 2013-01-16 | Last modified: | 2021-09-15 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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4FHH
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![BU of 4fhh by Molmil](/molmil-images/mine/4fhh) | Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition | Descriptor: | N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, Nuclear receptor coactivator 2, Vitamin D3 receptor A | Authors: | Fischer, J, Wang, T.T, Kaldre, D, Rochel, N, Moras, D, White, J.H, Gleason, J.L. | Deposit date: | 2012-06-06 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition. Chem.Biol., 19, 2012
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4FCO
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![BU of 4fco by Molmil](/molmil-images/mine/4fco) | Crystal structure of bace1 with its inhibitor | Descriptor: | Beta-secretase 1, N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide, SULFATE ION, ... | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | Deposit date: | 2012-05-25 | Release date: | 2013-05-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations To be Published, 2012
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4FGX
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![BU of 4fgx by Molmil](/molmil-images/mine/4fgx) | Crystal structure of bace1 with novel inhibitor | Descriptor: | Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ... | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | Deposit date: | 2012-06-05 | Release date: | 2013-01-16 | Last modified: | 2021-09-15 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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4ELM
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![BU of 4elm by Molmil](/molmil-images/mine/4elm) | Crystal structure of the mouse CD1d-lysosulfatide-Hy19.3 TCR complex | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Girardi, E, Maricic, I, Wang, J, Mac, T.T, Iyer, P, Kumar, V, Zajonc, D.M. | Deposit date: | 2012-04-11 | Release date: | 2012-07-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.48 Å) | Cite: | Type II natural killer T cells use features of both innate-like and conventional T cells to recognize sulfatide self antigens. Nat.Immunol., 13, 2012
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