2K4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2k4l by Molmil](/molmil-images/mine/2k4l) | Solution structure of a 2:1C2-(2-naphthyl)pyrrolo[2,1-c][1,4]benzodiazepine (PBD) DNA adduct: molecular basis for unexpectedly high DNA helix stabilization. | 分子名称: | (11aS)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 5'-D(*DAP*DAP*DTP*DCP*DTP*DTP*DTP*DAP*DAP*DAP*DGP*DAP*DTP*DT)-3' | 著者 | Antonow, D, Barata, T, Jenkins, T.C, Parkinson, G.N, Howard, P.W, Thurston, D.E, Zloh, M. | 登録日 | 2008-06-13 | 公開日 | 2008-10-28 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of a 2:1 C2-(2-naphthyl) pyrrolo[2,1-c][1,4]benzodiazepine DNA adduct: molecular basis for unexpectedly high DNA helix stabilization. Biochemistry, 47, 2008
|
|
8GBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gbs by Molmil](/molmil-images/mine/8gbs) | Integrative model of the native Ana GV shell | 分子名称: | Gas vesicle protein C, Gas vesicle structural protein | 著者 | Dutka, P, Metskas, L.A, Hurt, R.C, Salahshoor, H, Wang, T.U, Malounda, D, Lu, G, Chou, T.F, Shapiro, M.G, Jensen, J.J. | 登録日 | 2023-02-28 | 公開日 | 2023-04-19 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (8 Å) | 主引用文献 | Structure of Anabaena flos-aquae gas vesicles revealed by cryo-ET. Structure, 31, 2023
|
|
6G20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g20 by Molmil](/molmil-images/mine/6g20) | Crystal structure of a fluorescence optimized bathy phytochrome PAiRFP2 derived from wild-type Agp2 in its functional Meta-F intermediate state. | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, ... | 著者 | Schmidt, A, Sauthof, L, Szczepek, M, Scheerer, P. | 登録日 | 2018-03-22 | 公開日 | 2018-11-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Structural snapshot of a bacterial phytochrome in its functional intermediate state. Nat Commun, 9, 2018
|
|
8PDJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pdj by Molmil](/molmil-images/mine/8pdj) | The phosphatase and C2 domains of SHIP1 with covalent Z56948267 | 分子名称: | 4-azanyl-3-fluoranyl-benzenethiol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | 著者 | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | 登録日 | 2023-06-12 | 公開日 | 2023-06-28 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 32, 2024
|
|
6XI1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xi1 by Molmil](/molmil-images/mine/6xi1) | Crystal structure of tetra-tandem repeat in extending RTX adhesin from Aeromonas hydrophila | 分子名称: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ye, Q, Vance, T.D.R, Conroy, B, Davies, P.L. | 登録日 | 2020-06-19 | 公開日 | 2020-10-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Essential role of calcium in extending RTX adhesins to their target. J Struct Biol X, 4, 2020
|
|
8PDH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pdh by Molmil](/molmil-images/mine/8pdh) | The phosphatase and C2 domains of SHIP1 with covalent Z1742148362 | 分子名称: | (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | 登録日 | 2023-06-12 | 公開日 | 2023-06-28 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 32, 2024
|
|
6XIX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xix by Molmil](/molmil-images/mine/6xix) | |
8PDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pdg by Molmil](/molmil-images/mine/8pdg) | The phosphatase and C2 domains of SHIP1 with covalent Z2738285202 | 分子名称: | DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, ~{N}-(8-chloranylquinolin-2-yl)propanamide | 著者 | Bradshaw, W.J, Moreira, T, Scacioc, A, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | 登録日 | 2023-06-12 | 公開日 | 2023-06-28 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 32, 2024
|
|
6N2N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n2n by Molmil](/molmil-images/mine/6n2n) | |
5WRF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wrf by Molmil](/molmil-images/mine/5wrf) | Crystal structure of dodecameric type II dehydroquinate dehydratase from Acinetobacter baumannii with unexplained connecting electron density between free cysteine residues of molecular pairs | 分子名称: | 1,2-ETHANEDIOL, 3-dehydroquinate dehydratase | 著者 | Iqbal, N, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2016-12-01 | 公開日 | 2016-12-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Crystal structure of dodecameric type II dehydroquinate dehydratase from Acinetobacter baumannii with unexplained connecting electron density between free cysteine residues of molecular pairs To Be Published
|
|
8P3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p3m by Molmil](/molmil-images/mine/8p3m) | The structure of thiocyanate dehydrogenase mutant form with Lys 281 replaced by Ala from Thioalkalivibrio paradoxus | 分子名称: | BORIC ACID, COPPER (II) ION, SODIUM ION, ... | 著者 | Varfolomeeva, L.A, Polyakov, K.M, Komolov, A.S, Rakitina, T.V, Dergousova, N.I, Dorovatovskii, P.V, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | 登録日 | 2023-05-18 | 公開日 | 2023-06-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Improvement of the Diffraction Properties of Thiocyanate Dehydrogenase Crystals Crystallography Reports, 2023
|
|
8D9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d9p by Molmil](/molmil-images/mine/8d9p) | De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) cations | 分子名称: | CHLORIDE ION, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | 登録日 | 2022-06-10 | 公開日 | 2022-09-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rational design of photosynthetic reaction center protein maquettes. Front Mol Biosci, 9, 2022
|
|
6SSH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ssh by Molmil](/molmil-images/mine/6ssh) | |
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 | 分子名称: | Affimer AF6, Bcl-2-like protein 1, SULFATE ION | 著者 | 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. | 登録日 | 2019-09-09 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Selective Affimers Recognise the BCL-2 Family Proteins BCL-x L and MCL-1 through Noncanonical Structural Motifs*. Chembiochem, 22, 2021
|
|
8G69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g69 by Molmil](/molmil-images/mine/8g69) | Wildtype PTP1b in complex with DES5743 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline, MAGNESIUM ION, ... | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | 登録日 | 2023-02-14 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. J.Chem.Inf.Model., 63, 2023
|
|
8G67
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g67 by Molmil](/molmil-images/mine/8g67) | Wildtype PTP1b in complex with DES4884 | 分子名称: | 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | 登録日 | 2023-02-14 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. J.Chem.Inf.Model., 63, 2023
|
|
6Y0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y0j by Molmil](/molmil-images/mine/6y0j) | |
8AIJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aij by Molmil](/molmil-images/mine/8aij) | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(alpha-L-Fucopyranosyl)benzamide (6) | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | 著者 | Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A. | 登録日 | 2022-07-26 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB. J.Med.Chem., 65, 2022
|
|
8G6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g6a by Molmil](/molmil-images/mine/8g6a) | Wildtype PTP1b in complex with DES6016 | 分子名称: | DIMETHYL SULFOXIDE, MAGNESIUM ION, TRIETHYLENE GLYCOL, ... | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | 登録日 | 2023-02-14 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. J.Chem.Inf.Model., 63, 2023
|
|
7UEB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ueb by Molmil](/molmil-images/mine/7ueb) | Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO2) | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ... | 著者 | Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L. | 登録日 | 2022-03-21 | 公開日 | 2022-10-05 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | 主引用文献 | Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria. Nat Commun, 13, 2022
|
|
8G68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g68 by Molmil](/molmil-images/mine/8g68) | Wildtype PTP1b in complex with DES5742 | 分子名称: | 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | 登録日 | 2023-02-14 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. J.Chem.Inf.Model., 63, 2023
|
|
7UEA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uea by Molmil](/molmil-images/mine/7uea) | Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO1) | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ... | 著者 | Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L. | 登録日 | 2022-03-21 | 公開日 | 2022-10-05 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | 主引用文献 | Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria. Nat Commun, 13, 2022
|
|
8G65
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g65 by Molmil](/molmil-images/mine/8g65) | Wildtype PTP1b in complex with DES4799 | 分子名称: | 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | 登録日 | 2023-02-14 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. J.Chem.Inf.Model., 63, 2023
|
|
6Y0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y0f by Molmil](/molmil-images/mine/6y0f) | Structure of human FAPalpha in complex with linagliptin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione, ... | 著者 | Nar, H, Schnapp, G, Schreiner, P. | 登録日 | 2020-02-07 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.924 Å) | 主引用文献 | Structure of human FAPalpha in complex with linagliptin To Be Published
|
|
6G1U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g1u by Molmil](/molmil-images/mine/6g1u) | Crystal structure of Torpedo Californica acetylcholinesterase in complex with 9-Amino-6-chloro-1,2,3,4-tetrahydro-10-methylacridin-10-ium | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine, Acetylcholinesterase, ... | 著者 | Coquelle, N, Colletier, J.P. | 登録日 | 2018-03-22 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Increasing Polarity in Tacrine and Huprine Derivatives: Potent Anticholinesterase Agents for the Treatment of Myasthenia Gravis. Molecules, 23, 2018
|
|