5KZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kzx by Molmil](/molmil-images/mine/5kzx) | Crystal structure of human GAA | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Deming, D.T, Garman, S.C. | 登録日 | 2016-07-25 | 公開日 | 2017-07-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The structure of human GAA: structural basis of Pompe disease To be published
|
|
5KZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kzw by Molmil](/molmil-images/mine/5kzw) | Crystal structure of human GAA | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Deming, D.T, Garman, S.C. | 登録日 | 2016-07-25 | 公開日 | 2017-07-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The structure of human GAA: structural basis of Pompe disease To be published
|
|
5KPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kpm by Molmil](/molmil-images/mine/5kpm) | Glycogen Synthase Kinase 3 beta Complexed with BRD3731 | 分子名称: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | 著者 | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | 登録日 | 2016-07-04 | 公開日 | 2018-03-14 | 最終更新日 | 2018-03-21 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
|
|
5KPL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kpl by Molmil](/molmil-images/mine/5kpl) | Glycogen Synthase Kinase 3 beta Complexed with BRD0705 | 分子名称: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | 著者 | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | 登録日 | 2016-07-04 | 公開日 | 2018-03-14 | 最終更新日 | 2018-03-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
|
|
5KPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kpk by Molmil](/molmil-images/mine/5kpk) | Glycogen Synthase Kinase 3 beta Complexed with BRD0209 | 分子名称: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | 著者 | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | 登録日 | 2016-07-04 | 公開日 | 2018-03-14 | 最終更新日 | 2018-03-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
|
|
4YH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yh4 by Molmil](/molmil-images/mine/4yh4) | Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d) | 分子名称: | 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Lakshminarasimhan, D, White, A, Suto, R.K. | 登録日 | 2015-02-26 | 公開日 | 2016-01-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design. Bioorg.Med.Chem.Lett., 25, 2015
|
|
5VZ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vz3 by Molmil](/molmil-images/mine/5vz3) | |
5VZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vz4 by Molmil](/molmil-images/mine/5vz4) | Receptor-growth factor crystal structure at 2.20 Angstrom resolution | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, GDNF family receptor alpha-like, ... | 著者 | Lakshminarasimhan, D, White, A, Suto, R.K. | 登録日 | 2017-05-26 | 公開日 | 2017-09-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15. Nature, 550, 2017
|
|
6CZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6czv by Molmil](/molmil-images/mine/6czv) | BRD4(BD1) complexed with 2759 | 分子名称: | 1,2-ETHANEDIOL, 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one, Bromodomain-containing protein 4 | 著者 | Lakshminarasimhan, D, White, A, Suto, R.K. | 登録日 | 2018-04-09 | 公開日 | 2018-09-26 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine. J. Med. Chem., 61, 2018
|
|
6CZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6czu by Molmil](/molmil-images/mine/6czu) | BRD4(BD1) complexed with 3219 | 分子名称: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one, Bromodomain-containing protein 4, ... | 著者 | Lakshminarasimhan, D, White, A, Suto, R.K. | 登録日 | 2018-04-09 | 公開日 | 2018-09-26 | 最終更新日 | 2018-10-10 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine. J. Med. Chem., 61, 2018
|
|
5VH2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vh2 by Molmil](/molmil-images/mine/5vh2) | |
4L19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l19 by Molmil](/molmil-images/mine/4l19) | Matrix metalloproteinase-13 complexed with selective inhibitor compound Q1 | 分子名称: | 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, CALCIUM ION, Collagenase 3, ... | 著者 | Minond, D, Spicer, T.P, Jiang, J, Taylor, A.B, Hart, P.J, Roush, W.R, Fields, G.B, Hodder, P.S. | 登録日 | 2013-06-02 | 公開日 | 2014-12-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro. J.Med.Chem., 57, 2014
|
|
6E4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e4a by Molmil](/molmil-images/mine/6e4a) | Crystal structure of human BRD4(1) in complex with CN750 | 分子名称: | 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL | 著者 | Fontano, E, White, A, Lakshminarasimhan, D, Suto, R.K. | 登録日 | 2018-07-17 | 公開日 | 2018-09-12 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Discovery and lead identification of quinazoline-based BRD4 inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
|
|
6DEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dey by Molmil](/molmil-images/mine/6dey) | |
5AE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ae1 by Molmil](/molmil-images/mine/5ae1) | Ether Lipid-Generating Enzyme AGPS in complex with inhibitor ZINC69435460 | 分子名称: | (3-(2-FLUOROPHENYL)-N-(1-(2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-5-YL)ETHYL)BUTANAMIDE), ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | 著者 | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | 登録日 | 2015-08-25 | 公開日 | 2015-09-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents. Acs Chem.Biol., 10, 2015
|
|
5AE3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ae3 by Molmil](/molmil-images/mine/5ae3) | Ether Lipid-Generating Enzyme AGPS in complex with antimycin A | 分子名称: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | 登録日 | 2015-08-25 | 公開日 | 2015-09-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents. Acs Chem.Biol., 10, 2015
|
|
5HLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hlp by Molmil](/molmil-images/mine/5hlp) | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937 | 分子名称: | 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | 著者 | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | 登録日 | 2016-01-15 | 公開日 | 2016-05-25 | 最終更新日 | 2016-07-27 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects. Acs Chem.Biol., 11, 2016
|
|
5HK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hk6 by Molmil](/molmil-images/mine/5hk6) | |
5HKD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hkd by Molmil](/molmil-images/mine/5hkd) | |
8UE9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ue9 by Molmil](/molmil-images/mine/8ue9) | Structure of TREK-1CG*:CAT335 | 分子名称: | CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ... | 著者 | Mondal, A, Lee, H, Minor, D.L. | 登録日 | 2023-09-29 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure of Trek-1(S131C mutant) with ML335 To Be Published
|
|
8UEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uec by Molmil](/molmil-images/mine/8uec) | |
8UF6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uf6 by Molmil](/molmil-images/mine/8uf6) | |
8UE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ue2 by Molmil](/molmil-images/mine/8ue2) | |
2RFO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rfo by Molmil](/molmil-images/mine/2rfo) | Crystral Structure of the nucleoporin Nic96 | 分子名称: | Nucleoporin NIC96 | 著者 | Schrader, N, Stelter, P, Flemming, D, Kunze, K, Hurt, E, Vetter, I.R. | 登録日 | 2007-10-01 | 公開日 | 2008-01-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis of the nic96 subcomplex organization in the nuclear pore channel. Mol.Cell, 29, 2008
|
|
4UIR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uir by Molmil](/molmil-images/mine/4uir) | Structure of oleate hydratase from Elizabethkingia meningoseptica | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, OLEATE HYDRATASE, ... | 著者 | Pavkov-Keller, T, Hromic, A, Engleder, M, Emmerstorfer, A, Steinkellner, G, Schrempf, S, Wriessnegger, T, Leitner, E, Strohmeier, G.A, Kaluzna, I, Mink, D, Schuermann, M, Wallner, S, Macheroux, P, Pichler, H, Gruber, K. | 登録日 | 2015-04-02 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica. Chembiochem, 16, 2015
|
|