6ST2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6st2 by Molmil](/molmil-images/mine/6st2) | Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs | Descriptor: | Affimer AF6, Bcl-2-like protein 1, SULFATE ION | Authors: | Hobor, F, Miles, J.A, Trinh, C.H, Taylor, J, Tiede, C, Rowell, P.R, Jackson, B, Nadat, F, Kyle, H.F, Wicky, B.I.M, Clarke, J, Tomlinson, D.C, Wilson, A.J, Edwards, T.A. | Deposit date: | 2019-09-09 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Selective Affimers Recognise the BCL-2 Family Proteins BCL-x L and MCL-1 through Noncanonical Structural Motifs*. Chembiochem, 22, 2021
|
|
8BP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bp9 by Molmil](/molmil-images/mine/8bp9) | Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200W (crystal M200W#2) | Descriptor: | CHLORIDE ION, Isoaspartyl peptidase subunit alpha, Isoaspartyl peptidase subunit beta, ... | Authors: | Sciuk, A, Jaskolski, M, Loch, J.I. | Deposit date: | 2022-11-16 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII. Protein Sci., 32, 2023
|
|
7ML2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ml2 by Molmil](/molmil-images/mine/7ml2) | RNA polymerase II pre-initiation complex (PIC3) | Descriptor: | BJ4_G0004860.mRNA.1.CDS.1, BJ4_G0050160.mRNA.1.CDS.1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Yang, C, Fujiwara, R, Kim, H.J, Gorbea Colon, J.J, Steimle, S, Garcia, B.A, Murakami, K. | Deposit date: | 2021-04-27 | Release date: | 2022-02-02 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural visualization of de novo transcription initiation by Saccharomyces cerevisiae RNA polymerase II. Mol.Cell, 82, 2022
|
|
7PLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pll by Molmil](/molmil-images/mine/7pll) | Structure of the murine cortactin C-SH3 domain in complex with a Pyk2 proline-rich ligand | Descriptor: | Pyk2-PRR2 peptide, Src substrate cortactin | Authors: | Sokolik, C.G, Samson, A.O, Gil-Henn, H, Chill, J.H. | Deposit date: | 2021-08-31 | Release date: | 2022-07-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | A novel Pyk2-derived peptide inhibits invadopodia-mediated breast cancer metastasis. Oncogene, 42, 2023
|
|
4RJY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rjy by Molmil](/molmil-images/mine/4rjy) | |
4RKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rkj by Molmil](/molmil-images/mine/4rkj) | Crystal structure of thrombin mutant S195T (free form) | Descriptor: | GLYCEROL, POTASSIUM ION, Thrombin heavy chain, ... | Authors: | Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E. | Deposit date: | 2014-10-13 | Release date: | 2015-03-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Why ser and not thr brokers catalysis in the trypsin fold. Biochemistry, 54, 2015
|
|
5Y5Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y5y by Molmil](/molmil-images/mine/5y5y) | V/A-type ATPase/synthase from Thermus thermophilus, peripheral domain, rotational state 1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | Authors: | Nakanishi, A, Kishikawa, J, Tamakoshi, M, Mitsuoka, K, Yokoyama, K. | Deposit date: | 2017-08-10 | Release date: | 2018-01-24 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Cryo EM structure of intact rotary H+-ATPase/synthase from Thermus thermophilus Nat Commun, 9, 2018
|
|
7AZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7azr by Molmil](/molmil-images/mine/7azr) | |
8BVP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bvp by Molmil](/molmil-images/mine/8bvp) | Crystal structure of an N-terminal fragment of the effector protein Lpg2504 (SidI) from Legionella pneumophila | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Restriction endonuclease | Authors: | Machtens, D.A, Willerding, J.M, Eschenburg, S, Reubold, T.F. | Deposit date: | 2022-12-05 | Release date: | 2023-05-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the N-terminal domain of the effector protein SidI of Legionella pneumophila reveals a glucosyl transferase domain. Biochem.Biophys.Res.Commun., 661, 2023
|
|
7AZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7azq by Molmil](/molmil-images/mine/7azq) | |
6QDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qdg by Molmil](/molmil-images/mine/6qdg) | Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000169 | Descriptor: | 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... | Authors: | Brannigan, J.A. | Deposit date: | 2019-01-01 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes. J.Med.Chem., 63, 2020
|
|
8EQS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eqs by Molmil](/molmil-images/mine/8eqs) | Structure of SARS-CoV-1 Orf3a in late endosome/lysosome-like environment, MSP1D1 nanodisc | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apolipoprotein A-I, ORF3a protein | Authors: | Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E. | Deposit date: | 2022-10-09 | Release date: | 2023-02-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins. Elife, 12, 2023
|
|
6QKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qka by Molmil](/molmil-images/mine/6qka) | |
7MQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mqq by Molmil](/molmil-images/mine/7mqq) | |
4RPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rpf by Molmil](/molmil-images/mine/4rpf) | Crystal structure of homoserine kinase from Yersinia pestis Nepal516, NYSGRC target 032715 | Descriptor: | CITRIC ACID, Homoserine kinase | Authors: | Ptskovsky, Y, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-10-30 | Release date: | 2014-11-12 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Homoserine Kinase from Yersinia Pestis Nepal516, Nysgrc Target 032715 To be Published
|
|
6YGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ygx by Molmil](/molmil-images/mine/6ygx) | tRNA-guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-2-(methylamino)-4-(2-((2R,3R,4S,5R,6S)-3,4,5,6-tetramethoxytetrahydro-2H-pyran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one | Descriptor: | 6-azanyl-2-(methylamino)-4-[2-[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Nguyen, A, Heine, A, Klebe, G. | Deposit date: | 2020-03-27 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Co-crystallization, nanoESI-MS and 19F NMR reveal dimer disturbing inhibitors and conformational changes at dimer contacts To Be Published
|
|
5Y3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y3i by Molmil](/molmil-images/mine/5y3i) | |
8BQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bqo by Molmil](/molmil-images/mine/8bqo) | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant M200I | Descriptor: | CHLORIDE ION, GLYCEROL, Isoaspartyl peptidase subunit alpha, ... | Authors: | Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I. | Deposit date: | 2022-11-21 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII. Protein Sci., 32, 2023
|
|
6PKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pkx by Molmil](/molmil-images/mine/6pkx) | Cryo-EM structure of the zebrafish TRPM2 channel in the presence of ADPR and Ca2+ | Descriptor: | CALCIUM ION, Transient receptor potential cation channel subfamily M member 2, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Yin, Y, Wu, M, Hsu, A.L, Borschel, W.F, Borgnia, M.J, Lander, G.C, Lee, S.-Y. | Deposit date: | 2019-06-30 | Release date: | 2019-08-28 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel. Nat Commun, 10, 2019
|
|
6FC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fc9 by Molmil](/molmil-images/mine/6fc9) | The 1,8-bis(aminomethyl)anthracene and Quadruplex-duplex junction complex | Descriptor: | DNA (27-MER), [8-(azaniumylmethyl)anthracen-1-yl]methylazanium | Authors: | Santana, A, Serrano, I, Montalvillo-Jimenez, L, Corzana, F, Bastida, A, Jimenez-Barbero, J, Gonzalez, C, Asensio, J.L. | Deposit date: | 2017-12-20 | Release date: | 2019-04-10 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | De Novo Design of Selective Quadruplex-Duplex Junction Ligands and Structural Characterisation of Their Binding Mode: Targeting the G4 Hot-Spot. Chemistry, 2020
|
|
8EUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8euh by Molmil](/molmil-images/mine/8euh) | cytochrome P450terp (cyp108A1) bound to alpha-terpineol | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gable, J.A, Follmer, A.H, Poulos, T.L. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1). J.Am.Chem.Soc., 2023
|
|
5J44
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j44 by Molmil](/molmil-images/mine/5j44) | Crystal structure of the Secreted Extracellular protein A (SepA) from Shigella flexneri | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Serine protease SepA autotransporter | Authors: | Birtley, J.R, Stern, L.J, McCormick, B, Maldonado-Contreras, A. | Deposit date: | 2016-03-31 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.912 Å) | Cite: | Shigella depends on SepA to destabilize the intestinal epithelial integrity via cofilin activation. Gut Microbes, 8, 2017
|
|
6VJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vjf by Molmil](/molmil-images/mine/6vjf) | The P-Loop K to A mutation of C. therm Vps1 GTPase-BSE | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Putative sorting protein Vps1 | Authors: | Tornabene, B.A, Varlakhanova, N.V, Chappie, J.S, Ford, M.G.J. | Deposit date: | 2020-01-15 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.472 Å) | Cite: | Structural and functional characterization of the dominant negative P-loop lysine mutation in the dynamin superfamily protein Vps1. Protein Sci., 29, 2020
|
|
8SNZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8snz by Molmil](/molmil-images/mine/8snz) | X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin | Authors: | Ansari, A, Khan, S.A, Miller, A.F. | Deposit date: | 2023-04-28 | Release date: | 2024-03-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure, dynamics, and redox reactivity of an all-purpose flavodoxin. J.Biol.Chem., 300, 2024
|
|
7TUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tur by Molmil](/molmil-images/mine/7tur) | Joint X-ray/neutron structure of aspastate aminotransferase (AAT) in complex with pyridoxamine 5'-phosphate (PMP) | Descriptor: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ... | Authors: | Drago, V.N, Kovalevsky, A.Y, Dajnowicz, S, Mueser, T.C. | Deposit date: | 2022-02-03 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction. Chem Sci, 13, 2022
|
|