3UKC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ukc by Molmil](/molmil-images/mine/3ukc) | (S)-cEt-BNA decamer structure | 分子名称: | DNA (5'-D(*GP*CP*GP*TP*AP*(1TL)P*AP*CP*GP*C)-3') | 著者 | Pallan, P.S, Egli, M. | 登録日 | 2011-11-09 | 公開日 | 2012-06-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Structure and nuclease resistance of 2',4'-constrained 2'-O-methoxyethyl (cMOE) and 2'-O-ethyl (cEt) modified DNAs. Chem.Commun.(Camb.), 48, 2012
|
|
1VG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vg3 by Molmil](/molmil-images/mine/1vg3) | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima A76Y/S77F mutant | 分子名称: | SULFATE ION, octoprenyl-diphosphate synthase | 著者 | Guo, R.T, Kuo, C.J, Ko, T.P, Chou, C.C, Liang, P.H, Wang, A.H.-J. | 登録日 | 2004-04-23 | 公開日 | 2004-05-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | A molecular ruler for chain elongation catalyzed by octaprenyl pyrophosphate synthase and its structure-based engineering to produce unprecedented long chain trans-prenyl products Biochemistry, 43, 2004
|
|
6ZA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6za1 by Molmil](/molmil-images/mine/6za1) | Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491A-O2-hd | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, GLYCEROL, ... | 著者 | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | 登録日 | 2020-06-04 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
|
|
4V6I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v6i by Molmil](/molmil-images/mine/4v6i) | Localization of the small subunit ribosomal proteins into a 6.1 A cryo-EM map of Saccharomyces cerevisiae translating 80S ribosome | 分子名称: | 18S rRNA, 25S rRNA, 40S ribosomal protein RACK1 (RACK1), ... | 著者 | Armache, J.-P, Jarasch, A, Anger, A.M, Villa, E, Becker, T, Bhushan, S, Jossinet, F, Habeck, M, Dindar, G, Franckenberg, S, Marquez, V, Mielke, T, Thomm, M, Berninghausen, O, Beatrix, B, Soeding, J, Westhof, E, Wilson, D.N, Beckmann, R. | 登録日 | 2010-10-12 | 公開日 | 2014-07-09 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (8.8 Å) | 主引用文献 | Cryo-EM structure and rRNA model of a translating eukaryotic 80S ribosome at 5.5-A resolution. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3UKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uke by Molmil](/molmil-images/mine/3uke) | (S)-cMOE-BNA decamer structure | 分子名称: | DNA (5'-D(*GP*CP*GP*TP*AP*(CSM)P*AP*CP*GP*C)-3') | 著者 | Pallan, P.S, Egli, M. | 登録日 | 2011-11-09 | 公開日 | 2012-06-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structure and nuclease resistance of 2',4'-constrained 2'-O-methoxyethyl (cMOE) and 2'-O-ethyl (cEt) modified DNAs. Chem.Commun.(Camb.), 48, 2012
|
|
6YVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yvr by Molmil](/molmil-images/mine/6yvr) | Crystal structure of the neurotensin receptor 1 in complex with the peptide full agonist NTS8-13 | 分子名称: | Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin crystallisation chaperone, neurotensin NTS8-13 (full agonist), nonyl beta-D-glucopyranoside | 著者 | Deluigi, M, Merklinger, L, Hilge, M, Ernst, P, Klipp, A, Klenk, C, Plueckthun, A. | 登録日 | 2020-04-28 | 公開日 | 2021-02-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.458 Å) | 主引用文献 | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
|
|
1VZO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vzo by Molmil](/molmil-images/mine/1vzo) | The structure of the N-terminal kinase domain of MSK1 reveals a novel autoinhibitory conformation for a dual kinase protein | 分子名称: | BETA-MERCAPTOETHANOL, RIBOSOMAL PROTEIN S6 KINASE ALPHA 5, SULFATE ION | 著者 | Smith, K.J, Carter, P.S, Bridges, A, Horrocks, P, Lewis, C, Pettman, G, Clarke, A, Brown, M, Hughes, J, Wilkinson, M, Bax, B, Reith, A. | 登録日 | 2004-05-21 | 公開日 | 2004-06-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The Structure of Msk1 Reveals a Novel Autoinhibitory Conformation for a Dual Kinase Protein Structure, 12, 2004
|
|
4V69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v69 by Molmil](/molmil-images/mine/4v69) | Ternary complex-bound E.coli 70S ribosome. | 分子名称: | 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Villa, E, Sengupta, J, Trabuco, L.G, LeBarron, J, Baxter, W.T, Shaikh, T.R, Grassucci, R.A, Nissen, P, Ehrenberg, M, Schulten, K, Frank, J. | 登録日 | 2008-12-11 | 公開日 | 2014-07-09 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (6.7 Å) | 主引用文献 | Ribosome-induced changes in elongation factor Tu conformation control GTP hydrolysis Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
8TIM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tim by Molmil](/molmil-images/mine/8tim) | |
8ZN1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8zn1 by Molmil](/molmil-images/mine/8zn1) | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution | 分子名称: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | 著者 | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | 登録日 | 2024-05-25 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution To Be Published
|
|
8ZN4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8zn4 by Molmil](/molmil-images/mine/8zn4) | Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ... | 著者 | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | 登録日 | 2024-05-25 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution To Be Published
|
|
9BKN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bkn by Molmil](/molmil-images/mine/9bkn) | DHODH in complex with Ligand 16 | 分子名称: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | 著者 | Shaffer, P.L. | 登録日 | 2024-04-29 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 2024
|
|
1MNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mnx by Molmil](/molmil-images/mine/1mnx) | |
9IIM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9iim by Molmil](/molmil-images/mine/9iim) | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide at 2.74 A resolution. | 分子名称: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | 著者 | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Jeyakanthan, J, Sharma, S, Raje, C.I, Singh, T.P. | 登録日 | 2024-06-20 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide at 2.74 A resolution. To Be Published
|
|
9BKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bkm by Molmil](/molmil-images/mine/9bkm) | DHODH in complex with Ligand 10 | 分子名称: | (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Shaffer, P.L. | 登録日 | 2024-04-29 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 2024
|
|
5VER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ver by Molmil](/molmil-images/mine/5ver) | MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2Z | 分子名称: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | 登録日 | 2017-04-05 | 公開日 | 2017-11-29 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
|
|
5VHT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vht by Molmil](/molmil-images/mine/5vht) | E. coli chorismate mutase with orthogonal interface containing p-benzoyl phenylalanine | 分子名称: | Chorismate Mutase | 著者 | Koh, M, Nasertorabi, F, Han, G.W, Stevens, R.C, Shultz, P.G. | 登録日 | 2017-04-13 | 公開日 | 2017-05-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Generation of an Orthogonal Protein-Protein Interface with a Noncanonical Amino Acid. J. Am. Chem. Soc., 139, 2017
|
|
6Z97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z97 by Molmil](/molmil-images/mine/6z97) | Structure of the prefusion SARS-CoV-2 spike glycoprotein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | 著者 | Duyvesteyn, H.M.E, Ren, J, Zhao, Y, Zhou, D, Huo, J, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I. | 登録日 | 2020-06-03 | 公開日 | 2020-07-01 | 最終更新日 | 2020-09-23 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike. Cell Host Microbe, 28, 2020
|
|
4UTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4utc by Molmil](/molmil-images/mine/4utc) | Crystal structure of dengue 2 virus envelope glycoprotein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN E, ... | 著者 | Kikuti, C, Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | 登録日 | 2014-07-18 | 公開日 | 2015-01-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | 主引用文献 | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses. Nature, 520, 2015
|
|
4UTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4utb by Molmil](/molmil-images/mine/4utb) | Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11, ... | 著者 | Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | 登録日 | 2014-07-18 | 公開日 | 2015-01-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.85 Å) | 主引用文献 | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses. Nature, 520, 2015
|
|
1MF4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mf4 by Molmil](/molmil-images/mine/1mf4) | Structure-based design of potent and selective inhibitors of phospholipase A2: Crystal structure of the complex formed between phosholipase A2 from Naja Naja sagittifera and a designed peptide inhibitor at 1.9 A resolution | 分子名称: | CALCIUM ION, Phospholipase A2, VAL-ALA-PHE-ARG-SER | 著者 | Singh, R.K, Vikram, P, Paramsivam, M, Jabeen, T, Sharma, S, Makker, J, Dey, S, Kaur, P, Srinivasan, A, Singh, T.P. | 登録日 | 2002-08-09 | 公開日 | 2003-09-30 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design of specific peptide inhibitors for group I phospholipase A2: structure of a complex formed between phospholipase A2 from Naja naja sagittifera (group I) and a designed peptide inhibitor Val-Ala-Phe-Arg-Ser (VAFRS) at 1.9 A resolution reveals unique features Biochemistry, 42, 2003
|
|
3UR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ur5 by Molmil](/molmil-images/mine/3ur5) | Crystal Structure of PTE mutant K185R/I274N | 分子名称: | COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, Parathion hydrolase | 著者 | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | 登録日 | 2011-11-21 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
|
|
3URQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3urq by Molmil](/molmil-images/mine/3urq) | Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H with cyclohexyl methylphosphonate inhibitor | 分子名称: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase, ... | 著者 | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | 登録日 | 2011-11-22 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
|
|
5VT1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vt1 by Molmil](/molmil-images/mine/5vt1) | Crystal Structure of the Human CAMKK2B bound to a thiadiazinone benzamide inhibitor | 分子名称: | 4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4H-1,2,6-thiadiazin-3-yl}amino)benzamide, Calcium/calmodulin-dependent protein kinase kinase 2, MAGNESIUM ION | 著者 | Counago, R.M, Asquith, C.R.M, Arruda, P, Edwards, A.M, Gileadi, O, Kalogirou, A.S, Koutentis, P.A, Structural Genomics Consortium (SGC) | 登録日 | 2017-05-15 | 公開日 | 2017-05-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 1,2,6-Thiadiazinones as Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CaMKK2) Inhibitors. Molecules, 23, 2018
|
|
6ZBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zbv by Molmil](/molmil-images/mine/6zbv) | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7 | 分子名称: | Sodium- and chloride-dependent glycine transporter 1,Sodium- and chloride-dependent glycine transporter 1, Sybody Sb_GlyT1#7, [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone | 著者 | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | 登録日 | 2020-06-09 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Structural insights into the inhibition of glycine reuptake. Nature, 591, 2021
|
|