6YSY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ysy by Molmil](/molmil-images/mine/6ysy) | Skeletal Myosin bound to MPH-220, MgADP-VO4 | 分子名称: | (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Canon, L, Kikuti, C.M, Gyimesi, M, Malnasi-Csizmadia, A, Houdusse, A. | 登録日 | 2020-04-23 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.246 Å) | 主引用文献 | Single Residue Variation in Skeletal Muscle Myosin Enables Direct and Selective Drug Targeting for Spasticity and Muscle Stiffness. Cell, 183, 2020
|
|
6YY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yy1 by Molmil](/molmil-images/mine/6yy1) | Arabidopsis aspartate transcarbamoylase in apo state | 分子名称: | GLYCEROL, PYRB | 著者 | Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T. | 登録日 | 2020-05-04 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | 主引用文献 | Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase. Nat Commun, 12, 2021
|
|
6YWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ywj by Molmil](/molmil-images/mine/6ywj) | Arabidopsis aspartate transcarbamoylase mutant F161A complex with UMP | 分子名称: | GLYCEROL, PYRB, URIDINE-5'-MONOPHOSPHATE | 著者 | Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T. | 登録日 | 2020-04-29 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase. Nat Commun, 12, 2021
|
|
8R99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r99 by Molmil](/molmil-images/mine/8r99) | |
6ZCK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zck by Molmil](/molmil-images/mine/6zck) | Coxsackievirus B4 in complex with capsid binder compound 48 | 分子名称: | 4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid, Capsid protein VP1, Capsid protein VP2, ... | 著者 | Flatt, J.W, Domanska, A, Butcher, S.J. | 登録日 | 2020-06-11 | 公開日 | 2021-03-17 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Identification of a conserved virion-stabilizing network inside the interprotomer pocket of enteroviruses. Commun Biol, 4, 2021
|
|
6ZCL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zcl by Molmil](/molmil-images/mine/6zcl) | Coxsackievirus B3 in complex with capsid binder compound 17 | 分子名称: | 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid, MYRISTIC ACID, capsid protein VP1, ... | 著者 | Domanska, A, Flatt, J.W, Butcher, S.J. | 登録日 | 2020-06-11 | 公開日 | 2021-03-17 | 最終更新日 | 2023-05-31 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Identification of a conserved virion-stabilizing network inside the interprotomer pocket of enteroviruses. Commun Biol, 4, 2021
|
|
6D6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d6v by Molmil](/molmil-images/mine/6d6v) | CryoEM structure of Tetrahymena telomerase with telomeric DNA at 4.8 Angstrom resolution | 分子名称: | DNA (5'-D(P*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*G)-3'), RNA (159-MER), Telomerase associated protein p65, ... | 著者 | Jiang, J, Wang, Y, Susac, L, Chan, H, Basu, R, Zhou, Z.H, Feigon, J. | 登録日 | 2018-04-22 | 公開日 | 2018-05-30 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | 主引用文献 | Structure of Telomerase with Telomeric DNA. Cell, 173, 2018
|
|
6YYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yyw by Molmil](/molmil-images/mine/6yyw) | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) | 分子名称: | 2-OXOGLUTARIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | 著者 | Nakashima, Y, Brewitz, L, Schofield, C.J. | 登録日 | 2020-05-06 | 公開日 | 2021-03-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase. Chem Sci, 12, 2020
|
|
6YYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yyy by Molmil](/molmil-images/mine/6yyy) | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 4,4-dimethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) | 分子名称: | 2,2-dimethyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | 著者 | Nakashima, Y, Brewitz, L, Schofield, C.J. | 登録日 | 2020-05-06 | 公開日 | 2021-03-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase. Chem Sci, 12, 2020
|
|
6D7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d7o by Molmil](/molmil-images/mine/6d7o) | Crystal Structure of Rat TRPV6* in complex with 2-Aminoethoxydiphenyl borate (2-APB) | 分子名称: | 2-aminoethyl diphenylborinate, 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, CALCIUM ION, ... | 著者 | Singh, A.K, Saotome, K, McGoldrick, L.L, Sobolevsky, A.I. | 登録日 | 2018-04-25 | 公開日 | 2018-07-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | 主引用文献 | Structural bases of TRP channel TRPV6 allosteric modulation by 2-APB. Nat Commun, 9, 2018
|
|
6Z6Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z6q by Molmil](/molmil-images/mine/6z6q) | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-ethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) | 分子名称: | (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | 著者 | Nakashima, Y, Brewitz, L, Schofield, C.J. | 登録日 | 2020-05-29 | 公開日 | 2021-03-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase. Chem Sci, 12, 2020
|
|
6Z6R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z6r by Molmil](/molmil-images/mine/6z6r) | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser) | 分子名称: | Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ... | 著者 | Nakashima, Y, Brewitz, L, Schofield, C.J. | 登録日 | 2020-05-29 | 公開日 | 2021-03-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase. Chem Sci, 12, 2020
|
|
6YYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yyv by Molmil](/molmil-images/mine/6yyv) | |
6YYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yyu by Molmil](/molmil-images/mine/6yyu) | |
6YUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yur by Molmil](/molmil-images/mine/6yur) | Crystal structure of S. aureus FabI inhibited by SKTS1 | 分子名称: | 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Weinrich, J.D, Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C. | 登録日 | 2020-04-27 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure. Acs Infect Dis., 7, 2021
|
|
6Z8G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z8g by Molmil](/molmil-images/mine/6z8g) | Crystal structure of VSG13 soaked in 0.5 M used to phase VSG13 to solve the structure. | 分子名称: | BROMIDE ION, SULFATE ION, Variant surface glycoprotein MITat 1.13, ... | 著者 | Stebbins, C.E, Hempelmann, A, Van Straaten, M, Zeelen, J. | 登録日 | 2020-06-02 | 公開日 | 2021-03-17 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
|
|
6Z1C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z1c by Molmil](/molmil-images/mine/6z1c) | Crystal structure of Arabidopsis thaliana CK2-alpha-1 in complex with TTP-22 | 分子名称: | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid, CHLORIDE ION, Casein kinase II subunit alpha-1 | 著者 | Demulder, M, Loris, R, De Veylder, L. | 登録日 | 2020-05-13 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Arabidopsis casein kinase 2 triggers stem cell exhaustion under Al toxicity and phosphate deficiency through activating the DNA damage response pathway. Plant Cell, 33, 2021
|
|
6YYX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yyx by Molmil](/molmil-images/mine/6yyx) | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-methyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) | 分子名称: | (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | 著者 | Nakashima, Y, Brewitz, L, Schofield, C.J. | 登録日 | 2020-05-06 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase Chem Sci, 12, 2021
|
|
6DA2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6da2 by Molmil](/molmil-images/mine/6da2) | Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Sevrioukova, I.F. | 登録日 | 2018-05-01 | 公開日 | 2019-04-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
|
|
7RS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rs9 by Molmil](/molmil-images/mine/7rs9) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-25 | 分子名称: | (1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2021-08-11 | 公開日 | 2021-09-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7RS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rs4 by Molmil](/molmil-images/mine/7rs4) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-8 | 分子名称: | (2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(2H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid, CHLORIDE ION, Estrogen receptor | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2021-08-10 | 公開日 | 2021-09-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7RS2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rs2 by Molmil](/molmil-images/mine/7rs2) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-23 | 分子名称: | (2E)-3-(4-{[(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid, Estrogen receptor | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2021-08-10 | 公開日 | 2021-09-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6ZDW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zdw by Molmil](/molmil-images/mine/6zdw) | |
7RS1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rs1 by Molmil](/molmil-images/mine/7rs1) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-21 | 分子名称: | Estrogen receptor, methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2021-08-10 | 公開日 | 2021-09-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7RS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rs3 by Molmil](/molmil-images/mine/7rs3) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-29 | 分子名称: | (1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, CYSTEINE, Estrogen receptor, ... | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2021-08-10 | 公開日 | 2021-09-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|