3N5G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n5g by Molmil](/molmil-images/mine/3n5g) | Crystal Structure of histidine-tagged human thymidylate synthase | 分子名称: | SULFATE ION, Thymidylate synthase | 著者 | Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S. | 登録日 | 2010-05-25 | 公開日 | 2011-06-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
3NAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nau by Molmil](/molmil-images/mine/3nau) | Crystal structure of ZHX2 HD2 (zinc-fingers and homeoboxes protein 2, homeodomain 2) | 分子名称: | SULFATE ION, Zinc fingers and homeoboxes protein 2 | 著者 | Ren, J, Bird, L.E, Owens, R.J, Stammers, D.K, Oxford Protein Production Facility (OPPF) | 登録日 | 2010-06-02 | 公開日 | 2010-07-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Novel structural features in two ZHX homeodomains derived from a systematic study of single and multiple domains Bmc Struct.Biol., 10, 2010
|
|
3NMR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nmr by Molmil](/molmil-images/mine/3nmr) | Crystal Structure of CUGBP1 RRM1/2-RNA Complex | 分子名称: | CUGBP Elav-like family member 1, RNA (5'-R(*GP*UP*UP*GP*UP*UP*UP*UP*GP*UP*UP*U)-3') | 著者 | Teplova, M, Song, J, Gaw, H, Teplov, A, Patel, D.J. | 登録日 | 2010-06-22 | 公開日 | 2010-10-27 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural Insights into RNA Recognition by the Alternate-Splicing Regulator CUG-Binding Protein 1. Structure, 18, 2010
|
|
3NC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nc1 by Molmil](/molmil-images/mine/3nc1) | Crystal structure of the CRM1-RanGTP complex | 分子名称: | Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Guttler, T, Madl, T, Neumann, P, Deichsel, D, Corsini, L, Monecke, T, Ficner, R, Sattler, M, Gorlich, D. | 登録日 | 2010-06-04 | 公開日 | 2010-10-27 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1. Nat.Struct.Mol.Biol., 17, 2010
|
|
3NQJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nqj by Molmil](/molmil-images/mine/3nqj) | |
4QR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qr5 by Molmil](/molmil-images/mine/4qr5) | Brd4 Bromodomain 1 complex with its novel inhibitors | 分子名称: | Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide | 著者 | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | 登録日 | 2014-06-30 | 公開日 | 2015-07-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
|
|
4QXB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qxb by Molmil](/molmil-images/mine/4qxb) | |
4QWN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qwn by Molmil](/molmil-images/mine/4qwn) | |
4R1F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r1f by Molmil](/molmil-images/mine/4r1f) | |
7EYI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eyi by Molmil](/molmil-images/mine/7eyi) | |
4R5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r5w by Molmil](/molmil-images/mine/4r5w) | Human artd1 (parp1) - catalytic domain in complex with inhibitor xav939 | 分子名称: | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Karlberg, T, Thorsell, A.G, Schuler, H. | 登録日 | 2014-08-22 | 公開日 | 2015-09-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. J.Med.Chem., 60, 2017
|
|
4R68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r68 by Molmil](/molmil-images/mine/4r68) | Lactate Dehydrogenase in complex with inhibitor compound 31 | 分子名称: | (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2014-08-22 | 公開日 | 2014-12-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.112 Å) | 主引用文献 | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 25, 2014
|
|
4RAB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rab by Molmil](/molmil-images/mine/4rab) | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Keough, D.T, Hockov, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | 登録日 | 2014-09-10 | 公開日 | 2015-01-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.264 Å) | 主引用文献 | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
|
|
2QUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2quv by Molmil](/molmil-images/mine/2quv) | |
4RAQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4raq by Molmil](/molmil-images/mine/4raq) | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [(2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid | 著者 | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | 登録日 | 2014-09-10 | 公開日 | 2015-01-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
|
|
4QX8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qx8 by Molmil](/molmil-images/mine/4qx8) | |
2QUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2quu by Molmil](/molmil-images/mine/2quu) | |
4QR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qr3 by Molmil](/molmil-images/mine/4qr3) | Brd4 Bromodomain 1 complex with its novel inhibitors | 分子名称: | Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide | 著者 | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | 登録日 | 2014-06-30 | 公開日 | 2015-07-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.374 Å) | 主引用文献 | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
|
|
4QT0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qt0 by Molmil](/molmil-images/mine/4qt0) | Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 1, 3-{[3-CARBAMOYL-7-(2,4-DIMETHOXYPYRIMIDIN-5-YL)QUINOLIN-4-YL]AMINO}BENZOIC ACID | 分子名称: | 3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid, L-lactate dehydrogenase A chain | 著者 | Kolappan, S, Craig, L. | 登録日 | 2014-07-06 | 公開日 | 2014-12-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms. Acta Crystallogr.,Sect.D, 71, 2015
|
|
4QUT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qut by Molmil](/molmil-images/mine/4qut) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)12 | 分子名称: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, Histone H4, ... | 著者 | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2014-07-12 | 公開日 | 2014-07-30 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Atad2 is a generalist facilitator of chromatin dynamics in embryonic stem cells. J Mol Cell Biol, 8, 2016
|
|
4QQD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qqd by Molmil](/molmil-images/mine/4qqd) | Crystal Structure of tandem tudor domains of UHRF1 in complex with a small organic molecule | 分子名称: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, E3 ubiquitin-protein ligase UHRF1, UNKNOWN ATOM OR ION | 著者 | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2014-06-27 | 公開日 | 2014-08-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
|
|
4QR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qr4 by Molmil](/molmil-images/mine/4qr4) | Brd4 Bromodomain 1 complex with its novel inhibitors | 分子名称: | 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4 | 著者 | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | 登録日 | 2014-06-30 | 公開日 | 2015-07-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
|
|
4R69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r69 by Molmil](/molmil-images/mine/4r69) | Lactate Dehydrogenase in complex with inhibitor compound 13 | 分子名称: | (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2014-08-22 | 公開日 | 2014-12-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | 主引用文献 | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 25, 2014
|
|
7FB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fb7 by Molmil](/molmil-images/mine/7fb7) | Crystal structure of human UHRF1 TTD in complex with 5-amino-2,4-dimethylpyridine | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-amino-2,4-dimethylpyridine, DIMETHYL SULFOXIDE, ... | 著者 | Kori, S, Arita, K, Yoshimi, S. | 登録日 | 2021-07-08 | 公開日 | 2022-01-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure-based screening combined with computational and biochemical analyses identified the inhibitor targeting the binding of DNA Ligase 1 to UHRF1. Bioorg.Med.Chem., 52, 2021
|
|
4QYD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qyd by Molmil](/molmil-images/mine/4qyd) | |