7BXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bxd by Molmil](/molmil-images/mine/7bxd) | |
7BHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bhx by Molmil](/molmil-images/mine/7bhx) | Crystal structure of MAT2a bound to allosteric inhibitor (compound 31) | 分子名称: | 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | 登録日 | 2021-01-11 | 公開日 | 2021-04-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
|
|
1K4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k4a by Molmil](/molmil-images/mine/1k4a) | STRUCTURE OF AGAA RNA TETRALOOP, NMR, 20 STRUCTURES | 分子名称: | 5'-R(*GP*GP*UP*UP*CP*AP*GP*AP*AP*GP*AP*AP*CP*C)-3' | 著者 | Wu, H, Yang, P.K, Butcher, S.E, Kang, S, Chanfreau, G, Feigon, J. | 登録日 | 2001-10-07 | 公開日 | 2001-12-19 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | A novel family of RNA tetraloop structure forms the recognition site for Saccharomyces cerevisiae RNase III. EMBO J., 20, 2001
|
|
5NVZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nvz by Molmil](/molmil-images/mine/5nvz) | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-acetylcyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 16) | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Gadd, M.S, Soares, P, Ciulli, A. | 登録日 | 2017-05-04 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J. Med. Chem., 61, 2018
|
|
5JT1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jt1 by Molmil](/molmil-images/mine/5jt1) | The 3D structure of Ni-reconstituted U489C variant of [NiFeSe] hydrogenase from Desulfovibrio vulgaris Hildenborough in the oxidized state at 1.35 Angstrom resolution | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, HYDROSULFURIC ACID, ... | 著者 | Marques, M.C, Pereira, I.A.C, Matias, P.M. | 登録日 | 2016-05-09 | 公開日 | 2017-03-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | The direct role of selenocysteine in [NiFeSe] hydrogenase maturation and catalysis. Nat. Chem. Biol., 13, 2017
|
|
4QXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qxu by Molmil](/molmil-images/mine/4qxu) | Novel Inhibition Mechanism of Membrane Metalloprotease by an Exosite-Swiveling Conformational antibody | 分子名称: | Matrix metalloproteinase-14, SULFATE ION, anti_MT1-MMP Heavy chain, ... | 著者 | Udi, Y, Grossman, M, Solomonov, I, Dym, O, Rozenberg, H, Moreno, v, Cuiniasse, P, Dive, V, Arroyo, A.G, Sagi, I, Israel Structural Proteomics Center (ISPC) | 登録日 | 2014-07-22 | 公開日 | 2014-12-17 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody. Structure, 23, 2015
|
|
1EC4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ec4 by Molmil](/molmil-images/mine/1ec4) | SOLUTION STRUCTURE OF A HEXITOL NUCLEIC ACID DUPLEX WITH FOUR CONSECUTIVE T:T BASE PAIRS | 分子名称: | HEXITOL DODECANUCLEOTIDE | 著者 | Lescrinier, E, Esnouf, R.M, Schraml, J, Busson, R, Herdewijn, P. | 登録日 | 2000-01-25 | 公開日 | 2003-04-22 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of a HNA-RNA hybrid Chem.Biol., 7, 2000
|
|
2NY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ny1 by Molmil](/molmil-images/mine/2ny1) | HIV-1 gp120 Envelope Glycoprotein (I109C, T257S, S334A, S375W, Q428C) Complexed with CD4 and Antibody 17b | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ... | 著者 | Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D. | 登録日 | 2006-11-20 | 公開日 | 2007-02-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural definition of a conserved neutralization epitope on HIV-1 gp120. Nature, 445, 2007
|
|
5I9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i9n by Molmil](/molmil-images/mine/5i9n) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT412 | 分子名称: | 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | 登録日 | 2016-02-20 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.512 Å) | 主引用文献 | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
|
|
2GBL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gbl by Molmil](/molmil-images/mine/2gbl) | Crystal Structure of Full Length Circadian Clock Protein KaiC with Phosphorylation Sites | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase kaiC, MAGNESIUM ION | 著者 | Pattanayek, R, Williams, D.R, Pattanayek, S, Xu, Y, Mori, T, Johnson, C.H, Stewart, P.L, Egli, M. | 登録日 | 2006-03-10 | 公開日 | 2007-01-23 | 最終更新日 | 2021-07-28 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Analysis of KaiA-KaiC protein interactions in the cyano-bacterial circadian clock using hybrid structural methods. Embo J., 25, 2006
|
|
1U9J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u9j by Molmil](/molmil-images/mine/1u9j) | |
4KPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kpx by Molmil](/molmil-images/mine/4kpx) | Hin GlmU bound to WG766 | 分子名称: | Bifunctional protein GlmU, MAGNESIUM ION, N-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide, ... | 著者 | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | 登録日 | 2013-05-14 | 公開日 | 2014-10-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. Bioorg.Med.Chem., 22, 2014
|
|
2E6Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e6y by Molmil](/molmil-images/mine/2e6y) | Covalent complex of orotidine 5'-monophosphate decarboxylase (ODCase) with 6-Iodo-UMP | 分子名称: | GLYCEROL, Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | 著者 | Fujihashi, M, Bello, A.M, Kotra, L.P, Pai, E.F. | 登録日 | 2007-01-05 | 公開日 | 2007-02-27 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Potent, Covalent Inhibitor of Orotidine 5'-Monophosphate Decarboxylase with Antimalarial Activity. J.Med.Chem., 50, 2007
|
|
2PBI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pbi by Molmil](/molmil-images/mine/2pbi) | The multifunctional nature of Gbeta5/RGS9 revealed from its crystal structure | 分子名称: | GLYCEROL, Guanine nucleotide-binding protein subunit beta 5, Regulator of G-protein signaling 9 | 著者 | Cheever, M.L, Snyder, J.T, Gershburg, S, Siderovski, D.P, Harden, T.K, Sondek, J. | 登録日 | 2007-03-28 | 公開日 | 2008-01-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of the multifunctional Gbeta5-RGS9 complex. Nat.Struct.Mol.Biol., 15, 2008
|
|
4C00
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c00 by Molmil](/molmil-images/mine/4c00) | Crystal structure of TamA from E. coli | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, CHLORIDE ION, ... | 著者 | Gruss, F, Zaehringer, F, Jakob, R.P, Burmann, B.M, Hiller, S, Maier, T. | 登録日 | 2013-07-30 | 公開日 | 2013-09-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | The Structural Basis of Autotransporter Translocation by Tama Nat.Struct.Mol.Biol., 20, 2013
|
|
1ZF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zf3 by Molmil](/molmil-images/mine/1zf3) | ATC Four-stranded DNA Holliday Junction | 分子名称: | 5'-D(*CP*CP*GP*AP*TP*AP*TP*CP*GP*G)-3', CALCIUM ION | 著者 | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | 登録日 | 2005-04-19 | 公開日 | 2005-05-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | How sequence defines structure: a crystallographic map of DNA structure and conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
5NW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nw0 by Molmil](/molmil-images/mine/5nw0) | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-acetamidocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 17) | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-acetamidocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Gadd, M.S, Soares, P, Ciulli, A. | 登録日 | 2017-05-04 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J. Med. Chem., 61, 2018
|
|
1ZFH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zfh by Molmil](/molmil-images/mine/1zfh) | TTA Duplex B-DNA | 分子名称: | 5'-D(*CP*CP*TP*AP*AP*TP*TP*AP*GP*G)-3' | 著者 | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | 登録日 | 2005-04-20 | 公開日 | 2005-05-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | How sequence defines structure: a crystallographic map of DNA structure and conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
5NWH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nwh by Molmil](/molmil-images/mine/5nwh) | Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | 分子名称: | 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione, ADP-sugar pyrophosphatase | 著者 | Carter, M, Stenmark, P. | 登録日 | 2017-05-06 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. Nat Commun, 9, 2018
|
|
7LOK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lok by Molmil](/molmil-images/mine/7lok) | |
2AYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ayw by Molmil](/molmil-images/mine/2ayw) | Crystal Structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 A resolution | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID, BENZAMIDINE, ... | 著者 | Sherawat, M, Kaur, P, Perbandt, M, Betzel, C, Slusarchyk, W.A, Bisacchi, G.S, Chang, C, Jacobson, B.L, Einspahr, H.M, Singh, T.P. | 登録日 | 2005-09-09 | 公開日 | 2006-01-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | Structure of the complex of trypsin with a highly potent synthetic inhibitor at 0.97 A resolution. Acta Crystallogr.,Sect.D, 63, 2007
|
|
5NVY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nvy by Molmil](/molmil-images/mine/5nvy) | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamidopropanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl) pyrrolidine-2-carboxamide (ligand 11) | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Soares, P, Gadd, M.S, Ciulli, A. | 登録日 | 2017-05-04 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J. Med. Chem., 61, 2018
|
|
2B08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b08 by Molmil](/molmil-images/mine/2b08) | Reduced acetamide-bound M150G Nitrite Reductase from Alcaligenes faecalis | 分子名称: | ACETAMIDE, COPPER (I) ION, Copper-containing nitrite reductase | 著者 | Wijma, H.J, MacPherson, I.S, Farver, O, Tocheva, E.I, Pecht, I, Verbeet, M.Ph, Murphy, M.E.P, Canters, G.W. | 登録日 | 2005-09-13 | 公開日 | 2006-09-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Effect of the methionine ligand on the reorganization energy of the type-1 copper site of nitrite reductase. J.Am.Chem.Soc., 129, 2007
|
|
4C70
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c70 by Molmil](/molmil-images/mine/4c70) | Crystal structure of M. tuberculosis C171Q KasA in complex with TLM4 | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5H)-one, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ... | 著者 | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | 登録日 | 2013-09-19 | 公開日 | 2013-10-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis J.Biol.Chem., 288, 2013
|
|
7WXK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wxk by Molmil](/molmil-images/mine/7wxk) | |