6QB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qb5 by Molmil](/molmil-images/mine/6qb5) | Crystal structure of the N-terminal region of human cohesin subunit STAG1 | Descriptor: | Cohesin subunit SA-1, SODIUM ION | Authors: | Newman, J.A, Katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2018-12-20 | Release date: | 2019-02-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers. Life Sci Alliance, 3, 2020
|
|
6Q7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q7b by Molmil](/molmil-images/mine/6q7b) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL09 | Descriptor: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-12-13 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.009 Å) | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
|
|
6QEM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qem by Molmil](/molmil-images/mine/6qem) | E. coli DnaBC complex bound to ssDNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication protein DnaC, MAGNESIUM ION, ... | Authors: | Arias-Palomo, E, Puri, N, O'Shea Murray, V.L, Yan, Q, Berger, J.M. | Deposit date: | 2019-01-08 | Release date: | 2019-03-06 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA. Mol.Cell, 74, 2019
|
|
3CMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cmz by Molmil](/molmil-images/mine/3cmz) | TEM-1 Class-A beta-lactamase L201P mutant apo structure | Descriptor: | Beta-lactamase TEM, PHOSPHATE ION | Authors: | Marciano, D.C, Wang, X, Wang, J, Chen, Y, Thomas, V.L, Shoichet, B.K, Palzkill, T. | Deposit date: | 2008-03-24 | Release date: | 2008-11-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Genetic and structural characterization of an L201P global suppressor substitution in TEM-1 beta-lactamase J.Mol.Biol., 384, 2008
|
|
5JQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jqa by Molmil](/molmil-images/mine/5jqa) | CaM:RM20 complex | Descriptor: | CALCIUM ION, Calmodulin, Myosin light chain kinase, ... | Authors: | Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | Deposit date: | 2016-05-04 | Release date: | 2017-10-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CaM:RM20 complex To be Published
|
|
3D81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d81 by Molmil](/molmil-images/mine/3d81) | Sir2-S-alkylamidate complex crystal structure | Descriptor: | NAD-dependent deacetylase, S-alkylamidate intermediate, ZINC ION | Authors: | Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C. | Deposit date: | 2008-05-22 | Release date: | 2008-09-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into intermediate steps in the Sir2 deacetylation reaction. Structure, 16, 2008
|
|
6FNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fng by Molmil](/molmil-images/mine/6fng) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.038 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
|
|
6FNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fnm by Molmil](/molmil-images/mine/6fnm) | Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with Dasatinib | Descriptor: | Ephrin type-B receptor 4, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.157 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
|
|
6GY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gy4 by Molmil](/molmil-images/mine/6gy4) | Crystal structure of the N-terminal KH domain of human BICC1 | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, CHLORIDE ION, Protein bicaudal C homolog 1, ... | Authors: | Newman, J.A, Katis, V.L, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2018-06-28 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.986 Å) | Cite: | Crystal structure of the N-terminal KH domain of human BICC1 To Be Published
|
|
6H0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h0c by Molmil](/molmil-images/mine/6h0c) | Flv1 flavodiiron core from Synechocystis sp. PCC6803 | Descriptor: | CHLORIDE ION, CITRATE ANION, Putative diflavin flavoprotein A 3 | Authors: | Borges, P.T, Romao, C.V, Saraiva, L, Goncalves, V.L, Carrondo, M.A, Teixeira, M, Frazao, C. | Deposit date: | 2018-07-08 | Release date: | 2019-01-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Analysis of a new flavodiiron core structural arrangement in Flv1-Delta FlR protein from Synechocystis sp. PCC6803. J. Struct. Biol., 205, 2019
|
|
3EEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3eei by Molmil](/molmil-images/mine/3eei) | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A | Descriptor: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5-methylthioadenosine nucleosidase/S-adenosylhomocysteine nucleosidase | Authors: | Ho, M, Rinaldo-matthis, A, Brown, R.L, Norris, G.E, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-09-04 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A To be Published
|
|
3ERB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3erb by Molmil](/molmil-images/mine/3erb) | |
6H0D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h0d by Molmil](/molmil-images/mine/6h0d) | Metal soaked Flv1 flavodiiron core from Synechocystis sp. PCC6803 | Descriptor: | CHLORIDE ION, Putative diflavin flavoprotein A 3, SULFATE ION | Authors: | Borges, P.T, Romao, C.V, Saraiva, L, Goncalves, V.L, Carrondo, M.A, Teixeira, M, Frazao, C. | Deposit date: | 2018-07-08 | Release date: | 2019-01-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Analysis of a new flavodiiron core structural arrangement in Flv1-Delta FlR protein from Synechocystis sp. PCC6803. J. Struct. Biol., 205, 2019
|
|
3EWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ewd by Molmil](/molmil-images/mine/3ewd) | Crystal structure of adenosine deaminase mutant (delta Asp172) from Plasmodium vivax in complex with MT-coformycin | Descriptor: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Adenosine deaminase, ZINC ION | Authors: | Schramm, V.L, Almo, S.C, Cassera, M.B, Ho, M.C. | Deposit date: | 2008-10-14 | Release date: | 2009-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and metabolic specificity of methylthiocoformycin for malarial adenosine deaminases. Biochemistry, 48, 2009
|
|
3DKL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dkl by Molmil](/molmil-images/mine/3dkl) | Crystal structure of phosphorylated mimic form of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BENZAMIDE, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-06-25 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3DHD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dhd by Molmil](/molmil-images/mine/3dhd) | Crystal structure of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, Nicotinamide phosphoribosyltransferase, ... | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-06-17 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3EWC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ewc by Molmil](/molmil-images/mine/3ewc) | Crystal Structure of adenosine deaminase from Plasmodial vivax in complex with MT-coformycin | Descriptor: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Adenosine deaminase, ZINC ION | Authors: | Schramm, V.L, Almo, S.C, Cassera, M.B, Ho, M.C. | Deposit date: | 2008-10-14 | Release date: | 2009-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural and metabolic specificity of methylthiocoformycin for malarial adenosine deaminases. Biochemistry, 48, 2009
|
|
3OZD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ozd by Molmil](/molmil-images/mine/3ozd) | Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with pCl-phenylthioDADMeImmA | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, S-methyl-5'-thioadenosine phosphorylase | Authors: | Ho, M, Guan, R, Almo, S.C, Schramm, V.L. | Deposit date: | 2010-09-24 | Release date: | 2011-09-28 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase to be published
|
|
3OZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oze by Molmil](/molmil-images/mine/3oze) | |
3OZC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ozc by Molmil](/molmil-images/mine/3ozc) | Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with pCl-phenylthioDADMeImmA | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, PHOSPHATE ION, S-methyl-5'-thioadenosine phosphorylase | Authors: | Ho, M, Guan, R, Almo, S.C, Schramm, V.L. | Deposit date: | 2010-09-24 | Release date: | 2011-09-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase to be published
|
|
4OWC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4owc by Molmil](/molmil-images/mine/4owc) | PtI6 binding to HEWL | Descriptor: | CHLORIDE ION, IODIDE ION, Lysozyme C, ... | Authors: | Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R. | Deposit date: | 2014-01-31 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15. Acta Crystallogr.,Sect.F, 70, 2014
|
|
3OZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ozf by Molmil](/molmil-images/mine/3ozf) | Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with hypoxanthine | Descriptor: | HYPOXANTHINE, Hypoxanthine-guanine-xanthine phosphoribosyltransferase, MAGNESIUM ION, ... | Authors: | Ho, M, Hazleton, K.Z, Almo, S.C, Schramm, V.L. | Deposit date: | 2010-09-24 | Release date: | 2011-09-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | Acyclic Immucillin Phosphonates: Second-Generation Inhibitors of Plasmodium falciparum Hypoxanthine- Guanine-Xanthine Phosphoribosyltransferase. Chem.Biol., 19, 2012
|
|
3PF2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pf2 by Molmil](/molmil-images/mine/3pf2) | |
4OWH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4owh by Molmil](/molmil-images/mine/4owh) | PtBr6 binding to HEWL | Descriptor: | ACETATE ION, BROMIDE ION, CHLORIDE ION, ... | Authors: | Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R. | Deposit date: | 2014-02-02 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.484 Å) | Cite: | The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15. Acta Crystallogr.,Sect.F, 70, 2014
|
|
3PG2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pg2 by Molmil](/molmil-images/mine/3pg2) | |