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6CCZ
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BU of 6ccz by Molmil
Crystal structure of Medicago truncatula serine hydroxymethyltransferase 3 (MtSHMT3) soaked with selenourea
分子名称: ACETATE ION, FORMIC ACID, Serine hydroxymethyltransferase, ...
著者Ruszkowski, M, Sekula, B, Ruszkowska, A, Dauter, Z.
登録日2018-02-07
公開日2018-05-23
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Chloroplastic Serine Hydroxymethyltransferase FromMedicago truncatula: A Structural Characterization.
Front Plant Sci, 9, 2018
6CM2
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BU of 6cm2 by Molmil
SAMHD1 HD domain bound to decitabine triphosphate
分子名称: 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Oellerich, T, Schneider, C, Thomas, D, Knecht, K.M, Buzovetsky, O, Kaderali, L, Schliemann, C, Bohnenberger, H, Angenendt, L, Hartmann, W, Wardelmann, E, Rothenburger, T, Mohr, S, Scheich, S, Comoglio, F, Wilke, A, Strobel, P, Serve, H, Michaelis, M, Ferreiros, N, Geisslinger, G, Xiong, Y, Keppler, O.T, Cinatl, J.
登録日2018-03-02
公開日2019-06-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML.
Nat Commun, 10, 2019
4WNU
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BU of 4wnu by Molmil
Human Cytochrome P450 2D6 Quinidine Complex
分子名称: Cytochrome P450 2D6, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2014-10-14
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
4WRU
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BU of 4wru by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form II
分子名称: CHLORIDE ION, GLYCEROL, URACIL, ...
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-25
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WRW
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BU of 4wrw by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form IV
分子名称: CHLORIDE ION, GLYCEROL, Uracil-DNA glycosylase
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-25
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WRY
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BU of 4wry by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil(B), Form I
分子名称: 5-FLUOROURACIL, CHLORIDE ION, CITRIC ACID, ...
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-25
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WS1
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BU of 4ws1 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (AB), Form II
分子名称: 1,2-ETHANEDIOL, 5-FLUOROURACIL, CHLORIDE ION, ...
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-25
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WS5
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BU of 4ws5 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-nitrouracil, Form III
分子名称: 5-nitrouracil, CHLORIDE ION, Uracil-DNA glycosylase
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-25
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WSA
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BU of 4wsa by Molmil
Crystal structure of Influenza B polymerase bound to the vRNA promoter (FluB1 form)
分子名称: Influenza B vRNA promoter 3' end, Influenza B vRNA promoter 5' end, PA, ...
著者Reich, S, Guilligay, D, Pflug, A, Cusack, S.
登録日2014-10-26
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural insight into cap-snatching and RNA synthesis by influenza polymerase.
Nature, 516, 2014
6HEW
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BU of 6hew by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT069
分子名称: 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-08-20
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.268 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
4WSL
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BU of 4wsl by Molmil
Crystal structure of designed cPPR-polyC protein
分子名称: Pentatricopeptide repeat protein
著者Coquille, S.C, Filipovska, A, Chia, T.S, Rajappa, L, Lingford, J.P, Razif, M.F.M, Thore, S, Rackham, O.
登録日2014-10-28
公開日2014-12-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献An artificial PPR scaffold for programmable RNA recognition.
Nat Commun, 5, 2014
4WSM
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BU of 4wsm by Molmil
Complex of 70S ribosome with tRNA-Leu and mRNA with G-U mismatch in the first position in the A- and P-sites
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
登録日2014-10-28
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural insights into the translational infidelity mechanism.
Nat Commun, 6, 2015
6C9Z
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BU of 6c9z by Molmil
THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) W169Y mutant FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose
分子名称: (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, Glycosyl hydrolase, family 31
著者Tan, K, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Macromolecular Research (MCMR)
登録日2018-01-29
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) W169Y mutant FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose
To Be Published
6BGM
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BU of 6bgm by Molmil
Crystal structure of ferrous form of the crosslinked human cysteine dioxygenase
分子名称: Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ...
著者Liu, A, Li, J, Shin, I.
登録日2017-10-28
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6HGU
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BU of 6hgu by Molmil
Crystal Structure of an anti-APP-tag Fab
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, anti-APP-tag Fab heavy-chain, ...
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-23
公開日2019-11-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
4Y8D
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BU of 4y8d by Molmil
Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor
分子名称: 1,2-ETHANEDIOL, 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline, Cyclin-G-associated kinase, ...
著者Chaikuad, A, Heroven, C, Nowak, R, De Jonghe, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-02-16
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents.
J.Med.Chem., 58, 2015
2WHQ
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BU of 2whq by Molmil
Crystal structure of acetylcholinesterase, phosphonylated by sarin (aged) in complex with HI-6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ...
著者Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.G, Schneider, G, Pang, Y.P.
登録日2009-05-06
公開日2009-06-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
6HCS
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BU of 6hcs by Molmil
Crystal structure of CaM-peptide complex containing AzF at position 108
分子名称: CALCIUM ION, Calcium/calmodulin-dependent protein kinase type II subunit beta, Calmodulin-1
著者Creon, A, Josts, I, Tidow, H.
登録日2018-08-16
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformation-specific detection of calmodulin binding using the unnatural amino acid p-azido-phenylalanine (AzF) as an IR-sensor.
Struct Dyn, 5, 2018
4YDW
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BU of 4ydw by Molmil
CRYSTAL STRUCTURE OF ANTI-IL4 DARPIN 44C12V5
分子名称: DARPIN 44C12V5
著者Teplyakov, A, Obmolova, G, Gilliland, G.
登録日2015-02-23
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献CRYSTAL STRUCTURE OF ANTI-IL4 DARPIN 44C12V5
To Be Published
6BP2
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BU of 6bp2 by Molmil
Therapeutic human monoclonal antibody MR191 bound to a marburgvirus glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Envelope glycoprotein GP2, ...
著者King, L.B, Fusco, M.L, Flyak, A.I, Ilinykh, P.A, Huang, K, Gunn, B, Kirchdoerfer, R.N, Hastie, K.M, Sangha, A.K, Meiler, J, Alter, G, Bukreyev, A, Crowe, J.E.J, Saphire, E.O.
登録日2017-11-21
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.172 Å)
主引用文献The Marburgvirus-Neutralizing Human Monoclonal Antibody MR191 Targets a Conserved Site to Block Virus Receptor Binding.
Cell Host Microbe, 23, 2018
6HCY
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BU of 6hcy by Molmil
human STEAP4 bound to NADP, FAD, heme and Fe(III)-NTA.
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Oosterheert, W, van Bezouwen, L.S, Rodenburg, R.N.P, Forster, F, Mattevi, A, Gros, P.
登録日2018-08-17
公開日2018-10-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures of human STEAP4 reveal mechanism of iron(III) reduction.
Nat Commun, 9, 2018
4YF4
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BU of 4yf4 by Molmil
Crystal structure of Rv1284 in the presence of polycarpine at mildly acidic pH
分子名称: Beta-carbonic anhydrase 1, CHLORIDE ION, MAGNESIUM ION, ...
著者Hofmann, A.
登録日2015-02-25
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Chemical probing suggests redox-regulation of the carbonic anhydrase activity of mycobacterial Rv1284.
Febs J., 282, 2015
6HNM
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BU of 6hnm by Molmil
Crystal structure of IdmH 96-104 loop truncation variant
分子名称: putative polyketide cyclase IdmH
著者Drulyte, I, Obajdin, J, Trinh, C, Hemsworth, G.R, Berry, A.
登録日2018-09-16
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the putative cyclase IdmH from the indanomycin nonribosomal peptide synthase/polyketide synthase.
Iucrj, 6, 2019
6BPX
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BU of 6bpx by Molmil
Crystal structure of cysteine-bound ferrous form of the matured Cl2-Tyr157 human cysteine dioxygenase
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
著者Liu, A, Li, J, Shin, I.
登録日2017-11-26
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6HNU
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BU of 6hnu by Molmil
Crystal structure of the aminotransferase Aro8 from C. Albicans with ligands
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aromatic amino acid aminotransferase I, ...
著者Kiliszek, A, Rzad, K, Rypniewski, W, Milewski, S, Gabriel, I.
登録日2018-09-17
公開日2019-02-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of aminotransferases Aro8 and Aro9 from Candida albicans and structural insights into their properties.
J.Struct.Biol., 205, 2019

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