6P9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p9n by Molmil](/molmil-images/mine/6p9n) | CRYSTAL STRUCTURE OF HIV-1 LM/HT CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH (S)-MCG-IV-210. | 分子名称: | (3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Tolbert, W.D, Sherburn, R, Pazgier, M. | 登録日 | 2019-06-10 | 公開日 | 2019-10-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity. J.Virol., 93, 2019
|
|
5MVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mvh by Molmil](/molmil-images/mine/5mvh) | Glycoside Hydrolase BACCELL_00856 | 分子名称: | BACCELL_00856 | 著者 | Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J. | 登録日 | 2017-01-16 | 公開日 | 2017-04-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Unusual active site location and catalytic apparatus in a glycoside hydrolase family. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
8P9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p9w by Molmil](/molmil-images/mine/8p9w) | vitamin D receptor complex with Xe4MeCF3 analog | 分子名称: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-[6,6,6-tris(fluoranyl)-5-oxidanyl-5-(trifluoromethyl)hexa-1,3-diynyl]-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Belorusova, A.Y, Rochel, N. | 登録日 | 2023-06-06 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A vitamin D-based strategy overcomes chemoresistant prostate cancer To Be Published
|
|
6G8L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g8l by Molmil](/molmil-images/mine/6g8l) | 14-3-3sigma in complex with a L132beta3L mutated YAP pS127 phosphopeptide | 分子名称: | 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-ALA-SER-BLE-GLN, CHLORIDE ION, ... | 著者 | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | 登録日 | 2018-04-09 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
|
|
6CPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cpf by Molmil](/molmil-images/mine/6cpf) | Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP in an active conformation | 分子名称: | Aurora kinase A, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | 著者 | Otten, R, Zorba, A, Padua, R.A.P, Kern, D. | 登録日 | 2018-03-13 | 公開日 | 2018-06-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Dynamics of human protein kinase Aurora A linked to drug selectivity. Elife, 7, 2018
|
|
6D0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d0j by Molmil](/molmil-images/mine/6d0j) | Crystal structure of a CLC-type fluoride/proton antiporter | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CLC-type fluoride/proton antiporter, DECYL-BETA-D-MALTOPYRANOSIDE, ... | 著者 | Last, N.B, Stockbridge, R.B, Wilson, A.E, Shane, T, Kolmakova-Partensky, L, Koide, A, Koide, S, Miller, C. | 登録日 | 2018-04-10 | 公開日 | 2018-07-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A CLC-type F-/H+antiporter in ion-swapped conformations. Nat. Struct. Mol. Biol., 25, 2018
|
|
5MUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mul by Molmil](/molmil-images/mine/5mul) | Glycoside Hydrolase BT3686 bound to Glucuronic Acid | 分子名称: | Neuraminidase, beta-D-glucopyranuronic acid | 著者 | Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J. | 登録日 | 2017-01-13 | 公開日 | 2017-04-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Unusual active site location and catalytic apparatus in a glycoside hydrolase family. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
7WYI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wyi by Molmil](/molmil-images/mine/7wyi) | Native Photosystem I of Chlamydomonas reinhardtii | 分子名称: | CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ... | 著者 | Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H. | 登録日 | 2022-02-16 | 公開日 | 2023-02-22 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin. Biochim Biophys Acta Bioenerg, 1864, 2023
|
|
7WZN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wzn by Molmil](/molmil-images/mine/7wzn) | PSI-LHCI from Chlamydomonas reinhardtii with bound ferredoxin | 分子名称: | CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ... | 著者 | Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H. | 登録日 | 2022-02-18 | 公開日 | 2023-02-22 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | 主引用文献 | Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin. Biochim Biophys Acta Bioenerg, 1864, 2023
|
|
1AEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1aeu by Molmil](/molmil-images/mine/1aeu) | SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE) | 分子名称: | 2-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | 登録日 | 1997-02-25 | 公開日 | 1997-09-04 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
|
|
6G8J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g8j by Molmil](/molmil-images/mine/6g8j) | 14-3-3sigma in complex with a A130beta3A mutated YAP pS127 phosphopeptide | 分子名称: | 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-BAL-SER-LEU-GLN, CHLORIDE ION, ... | 著者 | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | 登録日 | 2018-04-09 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
|
|
5NHV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nhv by Molmil](/molmil-images/mine/5nhv) | Human Erk2 with an Erk1/2 inhibitor | 分子名称: | 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-22 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
|
|
6DFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dfp by Molmil](/molmil-images/mine/6dfp) | Crystal Structure of a Tripartite Toxin Component VCA0883 from Vibrio cholerae | 分子名称: | VCA0883 | 著者 | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-05-15 | 公開日 | 2018-05-23 | 最終更新日 | 2022-07-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins. J.Bacteriol., 204, 2022
|
|
6Q1I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q1i by Molmil](/molmil-images/mine/6q1i) | |
6GDR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gdr by Molmil](/molmil-images/mine/6gdr) | DNA binding with a minimal scaffold: Structure-function analysis of Lig E DNA ligases | 分子名称: | ADENOSINE MONOPHOSPHATE, DNA, DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ... | 著者 | Williamson, A, Grigic, M, Leiros, H.K.S. | 登録日 | 2018-04-24 | 公開日 | 2018-07-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | DNA binding with a minimal scaffold: structure-function analysis of Lig E DNA ligases. Nucleic Acids Res., 46, 2018
|
|
6JW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jw7 by Molmil](/molmil-images/mine/6jw7) | The crystal structure of KanD2 in complex with NADH and 3"-deamino-3"-hydroxykanamycin A | 分子名称: | (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-bis(azanyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Dehydrogenase | 著者 | Kudo, F, Kitayama, Y, Miyanaga, A, Hirayama, A, Eguchi, T. | 登録日 | 2019-04-18 | 公開日 | 2020-04-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Biochemical and structural analysis of a dehydrogenase, KanD2, and an aminotransferase, KanS2, that are responsible for the construction of the kanosamine moiety in kanamycin biosynthesis. Biochemistry, 59, 2020
|
|
6GHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ghz by Molmil](/molmil-images/mine/6ghz) | |
6GU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gu6 by Molmil](/molmil-images/mine/6gu6) | CDK1/Cks2 in complex with Dinaciclib | 分子名称: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2 | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | 登録日 | 2018-06-19 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
|
|
6GI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gi3 by Molmil](/molmil-images/mine/6gi3) | |
5O49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o49 by Molmil](/molmil-images/mine/5o49) | Human FGF in complex with a covalent inhibitor | 分子名称: | Fibroblast growth factor receptor 1, SULFATE ION, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate | 著者 | Debreczeni, J, Breed, J, Mukherjee, H, Aquila, B, Kaiser, C, Tentarelli, S, Whitty, A, Grimster, N. | 登録日 | 2017-05-26 | 公開日 | 2018-02-07 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions. Org. Biomol. Chem., 15, 2017
|
|
5KD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kd8 by Molmil](/molmil-images/mine/5kd8) | |
5WEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wey by Molmil](/molmil-images/mine/5wey) | Joint X-ray/neutron structure of Concanavalin A with alpha1-2 D-mannobiose | 分子名称: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | 著者 | Kovalevsky, A, Gerlits, O.O, Woods, R.J. | 登録日 | 2017-07-11 | 公開日 | 2017-09-13 | 最終更新日 | 2023-10-04 | 実験手法 | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | 主引用文献 | Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography. Biochemistry, 56, 2017
|
|
5WKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wka by Molmil](/molmil-images/mine/5wka) | Crystal structure of a GH1 beta-glucosidase retrieved from microbial metagenome of Poraque Amazon lake | 分子名称: | Beta-glucosidase, DI(HYDROXYETHYL)ETHER, GLYCEROL | 著者 | Morais, M.A.B, Toyama, D, Ramos, F.C, Zanphorlin, L.M, Tonoli, C.C.C, Miranda, F.P, Ruller, R, Henrique-Silva, F, Murakami, M.T. | 登録日 | 2017-07-24 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | A novel beta-glucosidase isolated from the microbial metagenome of Lake Poraque (Amazon, Brazil). Biochim. Biophys. Acta, 1866, 2018
|
|
6GI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gi4 by Molmil](/molmil-images/mine/6gi4) | |
1B2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1b2z by Molmil](/molmil-images/mine/1b2z) | DELETION OF A BURIED SALT BRIDGE IN BARNASE | 分子名称: | PROTEIN (BARNASE), ZINC ION | 著者 | Vaughan, C.K, Harryson, P, Buckle, A.M, Oliveberg, M, Fersht, A.R. | 登録日 | 1998-12-03 | 公開日 | 1998-12-09 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | A structural double-mutant cycle: estimating the strength of a buried salt bridge in barnase. Acta Crystallogr.,Sect.D, 58, 2002
|
|