5I8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i8e by Molmil](/molmil-images/mine/5i8e) | Crystal Structure of Broadly Neutralizing HIV-1 Fusion Peptide-Targeting Antibody VRC34.01 Fab | 分子名称: | VRC34.01 Fab heavy chain, VRC34.01 Fab light chain, ZINC ION | 著者 | Xu, K, Zhou, T, Liu, K, Kwong, P.D. | 登録日 | 2016-02-18 | 公開日 | 2016-05-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.655 Å) | 主引用文献 | Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody. Science, 352, 2016
|
|
5IIW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iiw by Molmil](/molmil-images/mine/5iiw) | Corkscrew assembly of SOD1 residues 28-38 without potassium iodide | 分子名称: | Superoxide dismutase [Cu-Zn] | 著者 | Sangwan, S, Zhao, A, Sawaya, M.R, Eisenberg, D. | 登録日 | 2016-03-01 | 公開日 | 2017-06-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS). Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5IPJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ipj by Molmil](/molmil-images/mine/5ipj) | |
5I8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i8c by Molmil](/molmil-images/mine/5i8c) | Crystal Structure of HIV-1 Clade A BG505 Fusion Peptide (residue 512-520) in Complex with Broadly Neutralizing Antibody VRC34.01 Fab | 分子名称: | HIV-1 Clade A BG505 Fusion Peptide (residue 512-520), VRC34.01 Fab heavy chain, VRC34.01 Fab light chain | 著者 | Xu, K, Zhou, T, Liu, K, Kwong, P.D. | 登録日 | 2016-02-18 | 公開日 | 2016-05-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody. Science, 352, 2016
|
|
3V89
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v89 by Molmil](/molmil-images/mine/3v89) | The crystal structure of transferrin binding protein A (TbpA) from Neisseria meningitidis serogroup B in complex with the C-lobe of human transferrin | 分子名称: | Serotransferrin, Transferrin-binding protein A | 著者 | Noinaj, N, Oke, M, Easley, N, Zak, O, Aisen, P, Buchanan, S.K. | 登録日 | 2011-12-22 | 公開日 | 2012-02-15 | 最終更新日 | 2012-04-18 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural basis for iron piracy by pathogenic Neisseria. Nature, 483, 2012
|
|
1MRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mrp by Molmil](/molmil-images/mine/1mrp) | FERRIC-BINDING PROTEIN FROM HAEMOPHILUS INFLUENZAE | 分子名称: | FE (III) ION, FERRIC IRON BINDING PROTEIN, PHOSPHATE ION | 著者 | Bruns, C.M, Nowalk, A.J, Arvai, A.S, Mctigue, M.A, Vaughan, K.G, Mietzner, T.A, Mcree, D.E. | 登録日 | 1997-05-14 | 公開日 | 1998-01-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure of Haemophilus influenzae Fe(+3)-binding protein reveals convergent evolution within a superfamily. Nat.Struct.Biol., 4, 1997
|
|
3VE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ve1 by Molmil](/molmil-images/mine/3ve1) | |
7ZHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zhn by Molmil](/molmil-images/mine/7zhn) | Crystal structure of TTBK1 in complex with AMG28 | 分子名称: | 1,2-ETHANEDIOL, 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, PHOSPHATE ION, ... | 著者 | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2022-04-06 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
|
|
7ZHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zhq by Molmil](/molmil-images/mine/7zhq) | Crystal structure of TTBK1 in complex with compound 10 (7-009) | 分子名称: | (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | 著者 | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2022-04-06 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
|
|
7ZHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zho by Molmil](/molmil-images/mine/7zho) | Crystal structure of TTBK1 in complex with compound 3 (7-001) | 分子名称: | 1,2-ETHANEDIOL, 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol, PHOSPHATE ION, ... | 著者 | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2022-04-06 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
|
|
7ZHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zhp by Molmil](/molmil-images/mine/7zhp) | Crystal structure of TTBK1 in complex with compound 9 (7-005) | 分子名称: | 1,2-ETHANEDIOL, 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol, PHOSPHATE ION, ... | 著者 | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2022-04-06 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
|
|
3V8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v8x by Molmil](/molmil-images/mine/3v8x) | The crystal structure of transferrin binding protein A (TbpA) from Neisserial meningitidis serogroup B in complex with full length human transferrin | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Noinaj, N, Easley, N, Buchanan, S.K. | 登録日 | 2011-12-23 | 公開日 | 2012-02-29 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis for iron piracy by pathogenic Neisseria. Nature, 483, 2012
|
|
3DCT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dct by Molmil](/molmil-images/mine/3dct) | FXR with SRC1 and GW4064 | 分子名称: | 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1 | 著者 | Williams, S.P, Madauss, K.P. | 登録日 | 2008-06-04 | 公開日 | 2008-08-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. Bioorg.Med.Chem.Lett., 18, 2008
|
|
3VE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ve2 by Molmil](/molmil-images/mine/3ve2) | |
8BJS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bjs by Molmil](/molmil-images/mine/8bjs) | Apo KIF20A[55-510] crystal structure | 分子名称: | Kinesin-like protein KIF20A, SULFATE ION, UNK-UNK-UNK-UNK | 著者 | Ranaivoson, F.M, Kikuti, C, Crozet, V, Sirkia, M.E, Houdusse, A. | 登録日 | 2022-11-06 | 公開日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Nucleotide-free structures of KIF20A illuminate atypical mechanochemistry in this kinesin-6. Open Biology, 13, 2023
|
|
4GE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ge7 by Molmil](/molmil-images/mine/4ge7) | Kynurenine Aminotransferase II Inhibitors | 分子名称: | (5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 著者 | Pandit, J. | 登録日 | 2012-08-01 | 公開日 | 2012-11-07 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
|
|
4GE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ge4 by Molmil](/molmil-images/mine/4ge4) | Kynurenine Aminotransferase II Inhibitors | 分子名称: | (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 著者 | Pandit, J. | 登録日 | 2012-08-01 | 公開日 | 2012-11-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
|
|
4GDY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gdy by Molmil](/molmil-images/mine/4gdy) | Kynurenine Aminotransferase II inhibitors | 分子名称: | (5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 著者 | Pandit, J. | 登録日 | 2012-08-01 | 公開日 | 2012-08-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Discovery of Hydroxamate Bioisosteres as KATII Inhibitors with Improved Oral Bioavailability and Pharmacokinetics MEDCHEMCOMM, 2012
|
|
4GE9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ge9 by Molmil](/molmil-images/mine/4ge9) | Kynurenine Aminotransferase II Inhibitors | 分子名称: | (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 著者 | Pandit, J. | 登録日 | 2012-08-01 | 公開日 | 2012-11-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
|
|
5OEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oej by Molmil](/molmil-images/mine/5oej) | Structure of Tra1 subunit within the chromatin modifying complex SAGA | 分子名称: | Tra1 subunit within the chromatin modifying complex SAGA | 著者 | Sharov, G, Voltz, K, Durand, A, Kolesnikova, O, Papai, G, Myasnikov, A.G, Dejaegere, A, Ben-Shem, A, Schultz, P. | 登録日 | 2017-07-07 | 公開日 | 2017-08-02 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | 主引用文献 | Structure of the transcription activator target Tra1 within the chromatin modifying complex SAGA. Nat Commun, 8, 2017
|
|
5O0U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o0u by Molmil](/molmil-images/mine/5o0u) | Crystal structure of tarantula venom peptide Protoxin-II | 分子名称: | 1,2-ETHANEDIOL, Beta/omega-theraphotoxin-Tp2a, CHLORIDE ION | 著者 | Tabor, A, McCarthy, S, Reyes, F.E. | 登録日 | 2017-05-17 | 公開日 | 2017-09-13 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | 主引用文献 | The Role of Disulfide Bond Replacements in Analogues of the Tarantula Toxin ProTx-II and Their Effects on Inhibition of the Voltage-Gated Sodium Ion Channel Nav1.7. J.Am.Chem.Soc., 139, 2017
|
|
5O83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o83 by Molmil](/molmil-images/mine/5o83) | Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors | 分子名称: | Leniolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Gutmann, S, Rummel, G, Shrestha, B. | 登録日 | 2017-06-12 | 公開日 | 2017-09-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors. ACS Med Chem Lett, 8, 2017
|
|
5O7I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o7i by Molmil](/molmil-images/mine/5o7i) | ERK5 in complex with a pyrrole inhibitor | 分子名称: | 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 7 | 著者 | Tucker, J.A, Heptinstall, A, Myers, S. | 登録日 | 2017-06-08 | 公開日 | 2018-06-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4. Eur.J.Med.Chem., 178, 2019
|
|
7RA7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ra7 by Molmil](/molmil-images/mine/7ra7) | Crystal structure of rabbit anti-HIV Fab 11A | 分子名称: | 11A Fab heavy chain, 11A Fab light chain, PENTAETHYLENE GLYCOL, ... | 著者 | Oyen, D, Wilson, I.A. | 登録日 | 2021-06-30 | 公開日 | 2022-07-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Limited breadth of anti-HIV Env glycan hole antibodies is further hindered by strain-specific peptide interactions To Be Published
|
|
1ZZN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zzn by Molmil](/molmil-images/mine/1zzn) | |