1ZIZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ziz by Molmil](/molmil-images/mine/1ziz) | Crystal Structure of Human Galactosyltransferase (GTB) Complexed with Galactose | Descriptor: | ABO blood group (transferase A, alpha 1-3-N-acetylgalactosaminyltransferase; transferase B, alpha 1-3-galactosyltransferase), ... | Authors: | Letts, J.A, Rose, N.L, Fang, Y.R, Barry, C.H, Borisova, S.N, Seto, N.O, Palcic, M.M, Evans, S.V. | Deposit date: | 2005-04-27 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Differential Recognition of the Type I and II H Antigen Acceptors by the Human ABO(H) Blood Group A and B Glycosyltransferases. J.Biol.Chem., 281, 2006
|
|
1NT1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nt1 by Molmil](/molmil-images/mine/1nt1) | thrombin in complex with selective macrocyclic inhibitor | Descriptor: | (6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE, Hirudin, thrombin | Authors: | Nantermet, P.G, Barrow, J.C, Newton, C.L, Pellicore, J.M, Young, M, Lewis, S.D, Lucas, B.J, Krueger, J.A, McMasters, D.R, Yan, Y, Kuo, L.C, Vacca, J.P, Selnick, H.G. | Deposit date: | 2003-01-28 | Release date: | 2003-09-02 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of potent and selective macrocyclic thrombin inhibitors Bioorg.Med.Chem.Lett., 13, 2003
|
|
1OEM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oem by Molmil](/molmil-images/mine/1oem) | PTP1B with the catalytic cysteine oxidized to a sulfenyl-amide bond | Descriptor: | PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 | Authors: | Salmeen, A, Andersen, J.N, Myers, M.P, Meng, T.C, Hinks, J.A, Tonks, N.K, Barford, D. | Deposit date: | 2003-03-28 | Release date: | 2003-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Redox Regulation of Protein Tyrosine Phosphatase Involves a Sulfenyl-Amide Intermediate Nature, 423, 2003
|
|
5C3G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c3g by Molmil](/molmil-images/mine/5c3g) | Crystal structure of Bcl-xl bound to BIM-MM | Descriptor: | Bcl-2-like protein 1,Bcl-2-like protein 1, Bcl-2-like protein 11 | Authors: | Miles, J.A, Yeo, D.J, Rowell, P, Rodriguez-Marin, S, Pask, C.M, Warriner, S.L, Edwards, T.A, Wilson, A.J. | Deposit date: | 2015-06-17 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Hydrocarbon constrained peptides - understanding preorganisation and binding affinity. Chem Sci, 7, 2016
|
|
1YXC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yxc by Molmil](/molmil-images/mine/1yxc) | Structure of E. coli dihydrodipicolinate synthase to 1.9 A | Descriptor: | CHLORIDE ION, POTASSIUM ION, dihydrodipicolinate synthase | Authors: | Dobson, R.C.J, Griffin, M.D.W, Jameson, G.B, Gerrard, J.A. | Deposit date: | 2005-02-20 | Release date: | 2005-08-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of native and (S)-lysine-bound dihydrodipicolinate synthase from Escherichia coli with improved resolution show new features of biological significance. Acta Crystallogr.,Sect.D, 61, 2005
|
|
4JR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jr2 by Molmil](/molmil-images/mine/4jr2) | |
5CI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ci5 by Molmil](/molmil-images/mine/5ci5) | Crystal Structure of an ABC transporter Solute Binding Protein from Thermotoga Lettingae TMO (Tlet_1705, TARGET EFI-510544) bound with alpha-D-Tagatose | Descriptor: | 1,2-ETHANEDIOL, Extracellular solute-binding protein family 1, PENTAETHYLENE GLYCOL, ... | 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: | 2015-07-11 | Release date: | 2015-07-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystal Structure of an ABC transporter Solute Binding Protein from Thermotoga Lettingae TMO (Tlet_1705, TARGET EFI-510544) bound with alpha-D-Tagatose To be published
|
|
4JPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jpy by Molmil](/molmil-images/mine/4jpy) | |
4JBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jbb by Molmil](/molmil-images/mine/4jbb) | Crystal structure of Glutathione S-transferase A6TBY7(Target EFI-507184) from Klebsiella pneumoniae MGH 78578, GSH complex | Descriptor: | CHLORIDE ION, FORMIC ACID, GLUTATHIONE, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-02-19 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of Glutathione S-Transferase A6Tby7 (Target Efi-507184) from Klebsiella Pneumoniae To be Published
|
|
1KBG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kbg by Molmil](/molmil-images/mine/1kbg) | MHC Class I H-2KB Presented Glycopeptide RGY8-6H-GAL2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (BETA-2-MICROGLOBULIN), ... | Authors: | Speir, J.A, Abdel-Motal, U.M, Jondal, M, Wilson, I.A. | Deposit date: | 1998-08-28 | Release date: | 1999-02-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of an MHC class I presented glycopeptide that generates carbohydrate-specific CTL. Immunity, 10, 1999
|
|
4JFZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jfz by Molmil](/molmil-images/mine/4jfz) | Structure of phosphoserine (pSAb) scaffold bound to pSer peptide | Descriptor: | Fab heavy chain, Fab light chain, PROPANOIC ACID, ... | Authors: | Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Nature-inspired design of motif-specific antibody scaffolds. Nat.Biotechnol., 31, 2013
|
|
4JUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4juu by Molmil](/molmil-images/mine/4juu) | Crystal structure of a putative hydroxyproline epimerase from xanthomonas campestris (TARGET EFI-506516) with bound phosphate and unknown ligand | Descriptor: | CHLORIDE ION, Epimerase, PHOSPHATE ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-03-25 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a putative hydroxyproline epimerase from xanthomonas campestris (TARGET EFI-506516) with bound phosphate and unknown ligand To be Published
|
|
5U6I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u6i by Molmil](/molmil-images/mine/5u6i) | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | Deposit date: | 2016-12-08 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity. J. Med. Chem., 60, 2017
|
|
4JXK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jxk by Molmil](/molmil-images/mine/4jxk) | Crystal Structure of Oxidoreductase ROP_24000 (Target EFI-506400) from Rhodococcus opacus B4 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, oxidoreductase | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-03-28 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Oxidoreductase Rop_24000 (Target EFI-506400) from Rhodococcus Opacus To be Published
|
|
4JXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jxy by Molmil](/molmil-images/mine/4jxy) | CRYSTAL STRUCTURE OF POLYPRENYL SYNTHASE PATL_3739 (TARGET EFI-509195) FROM Pseudoalteromonas atlantica | Descriptor: | GLUTARIC ACID, PHOSPHATE ION, Trans-hexaprenyltranstransferase | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-03-28 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CRYSTAL STRUCTURE OF ISOPRENOID SYNTHASE PATL_3739 FROM Pseudoalteromonas atlantica To be Published
|
|
1K8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k8a by Molmil](/molmil-images/mine/1k8a) | Co-crystal structure of Carbomycin A bound to the 50S ribosomal subunit of Haloarcula marismortui | Descriptor: | 23S RRNA, 5S RRNA, CADMIUM ION, ... | Authors: | Hansen, J.L, Ippolito, J.A, Ban, N, Nissen, P, Moore, P.B, Steitz, T. | Deposit date: | 2001-10-23 | Release date: | 2002-07-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structures of four macrolide antibiotics bound to the large ribosomal subunit. Mol.Cell, 10, 2002
|
|
2B42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b42 by Molmil](/molmil-images/mine/2b42) | Crystal structure of the Triticum xylanse inhibitor-I in complex with bacillus subtilis xylanase | Descriptor: | Endo-1,4-beta-xylanase A, xylanase inhibitor-I | Authors: | Sansen, S, Dewilde, M, De Ranter, C.J, Gebruers, K, Brijs, K, Courtin, C.M, Delcour, J.A, Rabijns, A. | Deposit date: | 2005-09-22 | Release date: | 2006-09-19 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of structural determinants for inhibition strength and specificity of wheat xylanase inhibitors TAXI-IA and TAXI-IIA. Febs J., 276, 2009
|
|
2ATS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ats by Molmil](/molmil-images/mine/2ats) | Dihydrodipicolinate synthase co-crystallised with (S)-lysine | Descriptor: | CHLORIDE ION, D-LYSINE, POTASSIUM ION, ... | Authors: | Devenish, S.R.A, Dobson, R.C.J, Jameson, G.B, Gerrard, J.A. | Deposit date: | 2005-08-26 | Release date: | 2006-09-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The co-crystallisation of (S)-lysine-bound dihydrodipicolinate synthase from E. coli indicates that domain movements are not responsible for (S)-lysine inhibition To be published
|
|
4K2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k2k by Molmil](/molmil-images/mine/4k2k) | Crystal structure of Staphylococcal nuclease variant Delta+PHS L25A/L36A/I92A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-04-09 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Pressure effects on proteins To be Published
|
|
2AZM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2azm by Molmil](/molmil-images/mine/2azm) | Crystal structure of the MDC1 brct repeat in complex with the histone tail of gamma-H2AX | Descriptor: | GAMMA-H2AX HISTONE, Mediator of DNA damage checkpoint protein 1 | Authors: | Clapperton, J.A, Stucki, M, Mohammad, D, Yaffe, M.B, Jackson, S.P, Smerdon, S.J. | Deposit date: | 2005-09-12 | Release date: | 2006-01-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | MDC1 Directly Binds Phosphorylated Histone H2AX to Regulate Cellular Responses to DNA Double-Strand Breaks Cell(Cambridge,Mass.), 123, 2005
|
|
4JZ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jz5 by Molmil](/molmil-images/mine/4jz5) | |
1KH6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kh6 by Molmil](/molmil-images/mine/1kh6) | Crystal Structure of an RNA Tertiary Domain Essential to HCV IRES-mediated Translation Initiation. | Descriptor: | JIIIabc | Authors: | Kieft, J.S, Zhou, K, Grech, A, Jubin, R, Doudna, J.A. | Deposit date: | 2001-11-29 | Release date: | 2002-04-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of an RNA tertiary domain essential to HCV IRES-mediated translation initiation. Nat.Struct.Biol., 9, 2002
|
|
1KXK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kxk by Molmil](/molmil-images/mine/1kxk) | |
4K1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k1x by Molmil](/molmil-images/mine/4k1x) | Ferredoxin-NADP(H) Reductase mutant with Ala 266 replaced by Tyr (A266Y) and residues 267-272 deleted. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH:ferredoxin reductase, SULFATE ION | Authors: | Bortolotti, A, Sanchez-Azqueta, A, Maya, C.M, Velazquez-Campoy, A, Hermoso, J.A, Cortez, N. | Deposit date: | 2013-04-06 | Release date: | 2013-11-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The C-terminal extension of bacterial flavodoxin-reductases: Involvement in the hydride transfer mechanism from the coenzyme. Biochim.Biophys.Acta, 1837, 2013
|
|
5CX8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cx8 by Molmil](/molmil-images/mine/5cx8) | Structure of RagB, a major immunodominant virulence factor of Porphyromonas gingivalis. | Descriptor: | 3-deoxy-5-O-phosphono-beta-D-ribofuranose, 3-deoxy-beta-D-glucopyranose, 6-O-phosphono-D-tagatose, ... | Authors: | Goulas, T, Garcia-Ferrer, I, Hutcherson, J.A, Potempa, B.A, Potempa, J, Scott, D.A, Gomis-Ruth, F.X. | Deposit date: | 2015-07-28 | Release date: | 2015-10-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of RagB, a major immunodominant outer-membrane surface receptor antigen of Porphyromonas gingivalis. Mol Oral Microbiol, 31, 2016
|
|