8OUZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ouz by Molmil](/molmil-images/mine/8ouz) | Human RAD51B-RAD51C-RAD51D-XRCC2 (BCDX2) complex, 2.2 A resolution | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA repair protein RAD51 homolog 2, ... | Authors: | Greenhough, L.A, Liang, C.C, West, S.C. | Deposit date: | 2023-04-25 | Release date: | 2023-06-21 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Structure and function of the RAD51B-RAD51C-RAD51D-XRCC2 tumour suppressor. Nature, 619, 2023
|
|
6VCQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vcq by Molmil](/molmil-images/mine/6vcq) | Crystal structure of E.coli RppH in complex with GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, RNA pyrophosphohydrolase, SULFATE ION | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | Deposit date: | 2019-12-21 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH. Nucleic Acids Res., 48, 2020
|
|
1C8M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c8m by Molmil](/molmil-images/mine/1c8m) | REFINED CRYSTAL STRUCTURE OF HUMAN RHINOVIRUS 16 COMPLEXED WITH VP63843 (PLECONARIL), AN ANTI-PICORNAVIRAL DRUG CURRENTLY IN CLINICAL TRIALS | Descriptor: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, HUMAN RHINOVIRUS 16 COAT PROTEIN, ZINC ION | Authors: | Chakravarty, S, Bator, C.M, Pevear, D.C, Diana, G.D, Rossmann, M.G. | Deposit date: | 2000-05-26 | Release date: | 2000-11-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | THE REFINED STRUCTURE OF A PICORNAVIRUS INHIBITOR CURRENTLY IN CLINICAL TRIALS, WHEN COMPLEXED WITH HUMAN RHINOVIRUS 16 to be published
|
|
1JMT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jmt by Molmil](/molmil-images/mine/1jmt) | X-ray Structure of a Core U2AF65/U2AF35 Heterodimer | Descriptor: | HEXANE-1,6-DIOL, SPLICING FACTOR U2AF 35 KDA SUBUNIT, SPLICING FACTOR U2AF 65 KDA SUBUNIT | Authors: | Kielkopf, C.L, Rodionova, N.A, Green, M.R, Burley, S.K. | Deposit date: | 2001-07-19 | Release date: | 2001-09-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A novel peptide recognition mode revealed by the X-ray structure of a core U2AF35/U2AF65 heterodimer. Cell(Cambridge,Mass.), 106, 2001
|
|
8A4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a4c by Molmil](/molmil-images/mine/8a4c) | Structure of human Rep15:Rab3B complex. | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rab15 effector protein, ... | Authors: | Rai, A, Vetter, I.R, Goody, R.S. | Deposit date: | 2022-06-10 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Rep15 interacts with several Rab GTPases and has a distinct fold for a Rab effector. Nat Commun, 13, 2022
|
|
5T7K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t7k by Molmil](/molmil-images/mine/5t7k) | X-ray crystal structure of AA13 LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2016-09-05 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder. Acta Crystallogr D Struct Biol, 73, 2017
|
|
8OTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8otb by Molmil](/molmil-images/mine/8otb) | |
6VEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vei by Molmil](/molmil-images/mine/6vei) | Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-01-02 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
|
|
1CCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ccf by Molmil](/molmil-images/mine/1ccf) | How an Epidermal Growth Factor (EGF)-Like Domain Binds Calcium-High Resolution NMR Structure of the Calcium Form of the NH2-Terminal EGF-Like Domain in Coagulation Factor X | Descriptor: | COAGULATION FACTOR X | Authors: | Selander-Sunnerhagen, M, Ullner, M, Persson, M, Teleman, O, Stenflo, J, Drakenberg, T. | Deposit date: | 1993-05-19 | Release date: | 1994-05-31 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | How an epidermal growth factor (EGF)-like domain binds calcium. High resolution NMR structure of the calcium form of the NH2-terminal EGF-like domain in coagulation factor X. J.Biol.Chem., 267, 1992
|
|
5T9A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t9a by Molmil](/molmil-images/mine/5t9a) | Crystal structure of BuGH2Cwt | Descriptor: | 1,2-ETHANEDIOL, Glycoside Hydrolase, SULFATE ION | Authors: | Pluvinage, B, Boraston, A.B, Abbott, W.D. | Deposit date: | 2016-09-09 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont. Nat Commun, 9, 2018
|
|
8DJH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8djh by Molmil](/molmil-images/mine/8djh) | Ternary complex of SUMO1 with a phosphomimetic SIM of PML and zinc | Descriptor: | PML 4SD, Small ubiquitin-related modifier 1, ZINC ION | Authors: | Lussier-Price, M, Wahba, H.M, Mascle, X.H, Cappadocia, L, Bourdeau, V, Gagnon, C, Igelmann, S, Sakaguchi, K, Ferbeyre, G, Omichinski, J.G. | Deposit date: | 2022-06-30 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Zinc controls PML nuclear body formation through regulation of a paralog specific auto-inhibition in SUMO1. Nucleic Acids Res., 50, 2022
|
|
8A4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a4b by Molmil](/molmil-images/mine/8a4b) | Structure of human Rep15:Rab3B_Q81L complex. | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rab15 effector protein, ... | Authors: | Rai, A, Vetter, I.R, Goody, R.S. | Deposit date: | 2022-06-10 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rep15 interacts with several Rab GTPases and has a distinct fold for a Rab effector. Nat Commun, 13, 2022
|
|
3UHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uho by Molmil](/molmil-images/mine/3uho) | Crystal Structure of Glutamate Racemase from Campylobacter jejuni subsp. jejuni | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Maltseva, N, Mulligan, R, Kwon, K, Kim, Y, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-11-03 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Glutamate Racemase
from Campylobacter jejuni subsp. jejuni To be Published
|
|
5YFM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yfm by Molmil](/molmil-images/mine/5yfm) | |
3T6Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t6q by Molmil](/molmil-images/mine/3t6q) | Crystal structure of mouse RP105/MD-1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD180 antigen, ... | Authors: | Ohto, U, Shimizu, T. | Deposit date: | 2011-07-28 | Release date: | 2011-11-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Mouse and Human RP105/MD-1 Complexes Reveal Unique Dimer Organization of the Toll-Like Receptor Family. J.Mol.Biol., 413, 2011
|
|
8A4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a4a by Molmil](/molmil-images/mine/8a4a) | Structure of human Rep15 in complex with bovine Rab3C. | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rab15 effector protein, ... | Authors: | Rai, A, Vetter, I.R, Goody, R.S. | Deposit date: | 2022-06-10 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Rep15 interacts with several Rab GTPases and has a distinct fold for a Rab effector. Nat Commun, 13, 2022
|
|
8DJI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dji by Molmil](/molmil-images/mine/8dji) | Ternary complex of SUMO1 with the SIM of PML and zinc | Descriptor: | Protein PML, Small ubiquitin-related modifier 1, ZINC ION | Authors: | Lussier-Price, M, Wahba, H.M, Mascle, X.H, Cappadocia, L, Bourdeau, V, Gagnon, C, Igelmann, S, Sakaguchi, K, Ferbeyre, G, Omichinski, J.G. | Deposit date: | 2022-06-30 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Zinc controls PML nuclear body formation through regulation of a paralog specific auto-inhibition in SUMO1. Nucleic Acids Res., 50, 2022
|
|
7JXT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jxt by Molmil](/molmil-images/mine/7jxt) | Ovine COX-1 in complex with the subtype-selective derivative 2a | Descriptor: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G. | Deposit date: | 2020-08-27 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design. Adv Sci, 8, 2021
|
|
3NXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nxy by Molmil](/molmil-images/mine/3nxy) | Preferential Selection of Isomer Binding from Chiral Mixtures: Alernate Binding Modes Observed fro the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | Descriptor: | 5-[(1E,3R)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cody, V. | Deposit date: | 2010-07-14 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 66, 2010
|
|
8DCT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dct by Molmil](/molmil-images/mine/8dct) | Lysozyme cluster 3 dual apo structure | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial crystallography with multi-stage merging of thousands of images. Acta Crystallogr.,Sect.F, 78, 2022
|
|
1C98
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c98 by Molmil](/molmil-images/mine/1c98) | SOLUTION STRUCTURE OF NEUROMEDIN B | Descriptor: | NEUROMEDIN B | Authors: | Lee, S, Kim, Y. | Deposit date: | 1999-08-01 | Release date: | 1999-08-11 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Solution structure of neuromedin B by (1)H nuclear magnetic resonance spectroscopy. FEBS Lett., 460, 1999
|
|
7JW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jw5 by Molmil](/molmil-images/mine/7jw5) | Crystal structure of WT-CYP199A4 in complex with 4-phenylbenzoic acid | Descriptor: | CHLORIDE ION, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | Deposit date: | 2020-08-24 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.526 Å) | Cite: | Different Geometric Requirements for Cytochrome P450-Catalyzed Aliphatic Versus Aromatic Hydroxylation Results in Chemoselective Oxidation Acs Catalysis, 12, 2022
|
|
4ZVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zvl by Molmil](/molmil-images/mine/4zvl) | Oxidized quinone reductase 2 in complex with acridine orange | Descriptor: | ACRIDINE ORANGE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2015-05-18 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2. Biochemistry, 54, 2015
|
|
5YOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yot by Molmil](/molmil-images/mine/5yot) | Isoprimeverose-producing enzyme from Aspergillus oryzae in complex with isoprimeverose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Matsuzawa, T, Watanabe, M, Nakamichi, Y, Yaoi, K. | Deposit date: | 2017-10-31 | Release date: | 2018-11-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure and substrate recognition mechanism of Aspergillus oryzae isoprimeverose-producing enzyme. J.Struct.Biol., 205, 2019
|
|
4ZWL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zwl by Molmil](/molmil-images/mine/4zwl) | 2.60 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289 | Descriptor: | Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-19 | Release date: | 2015-05-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 2.60 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289 To be Published
|
|