6GHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ghf by Molmil](/molmil-images/mine/6ghf) | Crystal structure of a GST variant | Descriptor: | PvGmGSTUG | Authors: | Papageorgiou, A.C, Chronopoulou, E.G, Labrou, N.E. | Deposit date: | 2018-05-07 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.52 Å) | Cite: | Expanding the Plant GSTome Through Directed Evolution: DNA Shuffling for the Generation of New Synthetic Enzymes With Engineered Catalytic and Binding Properties. Front Plant Sci, 9, 2018
|
|
6Z8S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z8s by Molmil](/molmil-images/mine/6z8s) | Copper transporter OprC | Descriptor: | COPPER (I) ION, Putative copper transport outer membrane porin OprC | Authors: | Bhamidimarri, S.P, van den Berg, B. | Deposit date: | 2020-06-02 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
|
|
5V6O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v6o by Molmil](/molmil-images/mine/5v6o) | |
7RDS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rds by Molmil](/molmil-images/mine/7rds) | Structure of human NTHL1 | Descriptor: | IRON/SULFUR CLUSTER, Isoform 3 of Endonuclease III-like protein 1 | Authors: | Carroll, B.L, Zahn, K.E, Doublie, S. | Deposit date: | 2021-07-11 | Release date: | 2021-12-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Caught in motion: human NTHL1 undergoes interdomain rearrangement necessary for catalysis. Nucleic Acids Res., 49, 2021
|
|
6Z8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z8t by Molmil](/molmil-images/mine/6z8t) | Copper transporter OprC | Descriptor: | Putative copper transport outer membrane porin OprC, SILVER ION | Authors: | Bhamidimarri, S.P, van den Berg, B. | Deposit date: | 2020-06-02 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
|
|
5URJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5urj by Molmil](/molmil-images/mine/5urj) | Crystal structure of human BRR2 in complex with T-3905516 | Descriptor: | 6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase | Authors: | Klein, M.G, Tjhen, R, Qin, L. | Deposit date: | 2017-02-10 | Release date: | 2017-07-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2. J. Med. Chem., 60, 2017
|
|
6GHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ghm by Molmil](/molmil-images/mine/6ghm) | Structure of PP1 alpha phosphatase bound to ASPP2 | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Apoptosis-stimulating of p53 protein 2, ... | Authors: | Mouilleron, S, Bertran, T.M, Tapon, N, Zhou, Y. | Deposit date: | 2018-05-08 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | ASPP proteins discriminate between PP1 catalytic subunits through their SH3 domain and the PP1 C-tail. Nat Commun, 10, 2019
|
|
5V7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v7a by Molmil](/molmil-images/mine/5v7a) | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-((2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)acetic acid | Descriptor: | CHLORIDE ION, Dihydropteroate synthase, [(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | Deposit date: | 2017-03-20 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018
|
|
7REX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rex by Molmil](/molmil-images/mine/7rex) | |
7MC5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mc5 by Molmil](/molmil-images/mine/7mc5) | Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, L(+)-TARTARIC ACID, ... | Authors: | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | Deposit date: | 2021-04-01 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
5US1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5us1 by Molmil](/molmil-images/mine/5us1) | Crystal structure of aminoglycoside acetyltransferase AAC(2')-Ia in complex with N2'-acetylgentamicin C1A and coenzyme A | Descriptor: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside, ACETYL COENZYME *A, Aminoglycoside 2'-N-acetyltransferase, ... | Authors: | Stogios, P.J, Evdokimova, E, Xu, Z, Wawrzak, Z, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-13 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes. ACS Infect Dis, 4, 2018
|
|
6QW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qw3 by Molmil](/molmil-images/mine/6qw3) | Calcium-bound gelsolin domain 2 | Descriptor: | CALCIUM ION, Gelsolin | Authors: | Scalone, E, Boni, F, Milani, M, Mastrangelo, E, de Rosa, M. | Deposit date: | 2019-03-05 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-resolution crystal structure of gelsolin domain 2 in complex with the physiological calcium ion. Biochem.Biophys.Res.Commun., 518, 2019
|
|
8R3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r3c by Molmil](/molmil-images/mine/8r3c) | |
6QW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qw7 by Molmil](/molmil-images/mine/6qw7) | Crystal structure of L2 complexed with relebactam (16 hour soak) | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, D-SERINE | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-03-05 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam. Antimicrob.Agents Chemother., 63, 2019
|
|
6ZAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zap by Molmil](/molmil-images/mine/6zap) | Isopenicillin N synthase in complex with Fe, O2 and ACV under cryo conditions. | Descriptor: | FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
|
|
6QWM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qwm by Molmil](/molmil-images/mine/6qwm) | The Transcriptional Regulator PrfA-A218G mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif | Descriptor: | DNA (30-MER), GLYCEROL, Listeriolysin positive regulatory factor A | Authors: | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | Deposit date: | 2019-03-05 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes. J.Bacteriol., 202, 2020
|
|
6Z7V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z7v by Molmil](/molmil-images/mine/6z7v) | Crystal structure of Mindy2 (C266A) in complex with Lys48 linked di-ubiquitin (K48-Ub2) | Descriptor: | POTASSIUM ION, Polyubiquitin-C, TETRAETHYLENE GLYCOL, ... | Authors: | Abdul Rehman, S.A, Lange, S.M, Kulathu, Y. | Deposit date: | 2020-06-01 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2. Mol.Cell, 81, 2021
|
|
6GHY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ghy by Molmil](/molmil-images/mine/6ghy) | |
7M6D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m6d by Molmil](/molmil-images/mine/7m6d) | |
6CXW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cxw by Molmil](/molmil-images/mine/6cxw) | |
7RND
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rnd by Molmil](/molmil-images/mine/7rnd) | Crystal structure of caspase-3 with inhibitor Ac-VDPVD-CHO | Descriptor: | Ac-VDPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
|
|
5UT9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ut9 by Molmil](/molmil-images/mine/5ut9) | Sperm whale myoglobin H64A with nitrite | Descriptor: | GLYCEROL, Myoglobin, NITRITE ION, ... | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2017-02-14 | Release date: | 2018-02-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
|
|
5HVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hvq by Molmil](/molmil-images/mine/5hvq) | Alternative model of the MAGE-G1 NSE-1 complex | Descriptor: | Melanoma-associated antigen G1, Non-structural maintenance of chromosomes element 1 homolog, ZINC ION | Authors: | Newman, J.A, Cooper, C.D.O, Roos, A.K, Aitkenhead, H, Oppermann, U.C.T, Cho, H.J, Osman, R, Gileadi, O. | Deposit date: | 2016-01-28 | Release date: | 2016-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.923 Å) | Cite: | Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding. Plos One, 11, 2016
|
|
6HYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hyt by Molmil](/molmil-images/mine/6hyt) | Crystal structure of DHX8 helicase domain bound to ADP at 2.3 Angstrom | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Felisberto-Rodrigues, C, Thomas, J.C, McAndrew, P.C, Le Bihan, Y.V, Burke, R, Workman, P, van Montfort, R.L.M. | Deposit date: | 2018-10-22 | Release date: | 2019-08-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural and functional characterisation of human RNA helicase DHX8 provides insights into the mechanism of RNA-stimulated ADP release. Biochem.J., 476, 2019
|
|
6Z2S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z2s by Molmil](/molmil-images/mine/6z2s) | Crystal structure of adhibin analogue-bound myosin-2 | Descriptor: | 3,6-dibromo-1-(hydroxymethyl)carbazole, ACETATE ION, ADP METAVANADATE, ... | Authors: | Ewert, W, Knoelker, H.-J, Tsiavaliaris, G, Preller, M. | Deposit date: | 2020-05-18 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The synthetic carbazole adhibin acts as selective myosin class-IX inhibitor in lung cancer cells To Be Published
|
|