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6QNL
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BU of 6qnl by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
分子名称: Carbonic anhydrase 12, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
著者Dvinskis, E, Leitans, J, Tars, K.
登録日2019-02-11
公開日2020-03-04
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
5L3S
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BU of 5l3s by Molmil
Structure of the GTPase heterodimer of crenarchaeal SRP54 and FtsY
分子名称: GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
著者Bange, G, Wild, K, Sinning, I.
登録日2016-05-24
公開日2016-06-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex.
J.Mol.Biol., 428, 2016
6QO5
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BU of 6qo5 by Molmil
Crystal structure of apo (metal-free) ribonucleotide reductase NrdF from Bacillus anthracis
分子名称: CHLORIDE ION, Ribonucleoside-diphosphate reductase subunit beta, SULFATE ION
著者Grave, K, Hogbom, M.
登録日2019-02-12
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.511 Å)
主引用文献Redox-induced structural changes in the di-iron and di-manganese forms of Bacillus anthracis ribonucleotide reductase subunit NrdF suggest a mechanism for gating of radical access.
J.Biol.Inorg.Chem., 24, 2019
6RH3
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BU of 6rh3 by Molmil
Cryo-EM structure of E. coli RNA polymerase elongation complex bound to CTP substrate
分子名称: CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Abdelkareem, M, Saint-Andre, C, Takacs, M, Papai, G, Crucifix, C, Guo, X, Ortiz, J, Weixlbaumer, A.
登録日2019-04-18
公開日2019-07-03
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural Basis of Transcription: RNA Polymerase Backtracking and Its Reactivation.
Mol.Cell, 75, 2019
5L8E
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BU of 5l8e by Molmil
Structure of UAF1
分子名称: GLYCEROL, Unknown, WD repeat-containing protein 48
著者Dharadhar, S, Sixma, T.
登録日2016-06-07
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A conserved two-step binding for the UAF1 regulator to the USP12 deubiquitinating enzyme.
J.Struct.Biol., 196, 2016
2M3B
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BU of 2m3b by Molmil
Serine 16 phosphorylated phospholamban pentamer, Hybrid solution and solid-state NMR structural ensemble
分子名称: Cardiac phospholamban
著者Vostrikov, V.V, Verardi, R, Veglia, G.
登録日2013-01-15
公開日2013-10-30
最終更新日2023-06-14
実験手法SOLID-STATE NMR, SOLUTION NMR
主引用文献Structural Dynamics and Topology of Phosphorylated Phospholamban Homopentamer Reveal Its Role in the Regulation of Calcium Transport.
Structure, 21, 2013
5L8Z
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BU of 5l8z by Molmil
Structure of thermostable DNA-binding HU protein from micoplasma Spiroplasma melliferum
分子名称: DNA-binding protein, SODIUM ION
著者Boyko, K.M, Gorbacheva, M.A, Rakitina, T.V, Korzhenevskiy, D.A, Kamashev, D.E, Vanyushkina, A.A, Lipkin, A.V, Popov, V.O.
登録日2016-06-09
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of the high thermal stability of the histone-like HU protein from the mollicute Spiroplasma melliferum KC3.
Sci Rep, 6, 2016
6QOY
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BU of 6qoy by Molmil
Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, 4-(2-azanylethyl)benzenesulfonic acid, CHLORIDE ION, ...
著者Gabdulkhakov, A, Tishchenko, S, Kudryakova, I, Afoshin, A, Vasilyeva, N.
登録日2019-02-13
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Serine bacteriolytic protease L1 of Lysobacter sp. XL1 complexed with protease inhibitor AEBSF: features of interaction
Process Biochem, 2019
6QP6
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BU of 6qp6 by Molmil
Cryo-EM structure of calcium-bound mTMEM16F lipid scramblase in digitonin
分子名称: 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-6, CALCIUM ION
著者Alvadia, C, Lim, N.K, Clerico Mosina, V, Oostergetel, G.T, Dutzler, R, Paulino, C.
登録日2019-02-13
公開日2019-03-06
最終更新日2019-04-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures and functional characterization of the murine lipid scramblase TMEM16F.
Elife, 8, 2019
2MJZ
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BU of 2mjz by Molmil
Capsid model of M13 bacteriophage virus from Magic-angle spinning NMR and Rosetta modeling
分子名称: Capsid protein G8P
著者Morag, O, Sgourakis, N.G, Baker, D, Goldbourt, A.
登録日2014-01-22
公開日2015-01-07
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献The NMR-Rosetta capsid model of M13 bacteriophage reveals a quadrupled hydrophobic packing epitope.
Proc.Natl.Acad.Sci.USA, 112, 2015
6QPH
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BU of 6qph by Molmil
Dunaliella minimal PSI complex
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Klaiman, D, Caspy, I, Nelson, N.
登録日2019-02-14
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of a minimal photosystem I from the green alga Dunaliella salina.
Nat.Plants, 6, 2020
2M0Y
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BU of 2m0y by Molmil
Solution structure of the SH3 domain of DOCK180
分子名称: Dedicator of cytokinesis protein 1
著者Liu, X, Wen, W.
登録日2012-11-08
公開日2012-12-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the SH3 domain of DOCK180.
Proteins, 81, 2013
5L1T
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BU of 5l1t by Molmil
X-ray Structure of M77S mutant of Cytochrome P450 PntM with pentalenolactone F
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
著者Duan, L, Jogl, G, Cane, D.E.
登録日2016-07-29
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.082 Å)
主引用文献The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
6ROE
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BU of 6roe by Molmil
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,6-DIFLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-05-12
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.939 Å)
主引用文献The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
5LBB
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BU of 5lbb by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) R396T variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-15
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
6QRW
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BU of 6qrw by Molmil
X-ray radiation dose series on xylose isomerase - 3.25 MGy
分子名称: 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
著者Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F.
登録日2019-02-19
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both.
J.Synchrotron Radiat., 26, 2019
2M2W
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BU of 2m2w by Molmil
Ternary complex of ASFV Pol X with DNA and MgdGTP
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(P*GP*GP*CP*GP*AP*AP*GP*CP*CP*GP*GP*GP*TP*GP*CP*GP*AP*AP*GP*CP*AP*CP*(DOC))-3', MAGNESIUM ION, ...
著者Wu, W, Su, M, Tsai, M.
登録日2013-01-03
公開日2014-04-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献How a low-fidelity DNA polymerase chooses non-Watson-Crick from Watson-Crick incorporation.
J.Am.Chem.Soc., 136, 2014
5LBN
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BU of 5lbn by Molmil
High-resolution crystal structure of the UBC core domain of UBE2E1/UbcH6
分子名称: GLYCEROL, Ubiquitin-conjugating enzyme E2 E1
著者Anandapadamanaban, M, Moche, M, Sunnerhagen, M.
登録日2016-06-16
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure of a TRIM21 - UBE2E1 complex reveals the specificity of E2 and ubiquitin recognition by TRIM E3 RINGs
To Be Published
5L3U
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BU of 5l3u by Molmil
Thermolysin in complex with JC149 (MPD cryo protectant)
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2R)-2,3,3-trimethylbutyl]-L-leucinamide, ...
著者Krimmer, S.G, Cramer, J, Heine, A, Klebe, G.
登録日2016-05-24
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
6QRS
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BU of 6qrs by Molmil
X-ray radiation dose series on xylose isomerase - 0.13 MGy
分子名称: 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
著者Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F.
登録日2019-02-19
公開日2019-07-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both.
J.Synchrotron Radiat., 26, 2019
6QS7
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BU of 6qs7 by Molmil
ClpB (DWB and K476C mutant) bound to casein in presence of ATPgammaS - state KC-2A
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, MAGNESIUM ION, ...
著者Deville, C, Saibil, H.R.
登録日2019-02-20
公開日2019-07-03
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
2M20
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BU of 2m20 by Molmil
EGFR transmembrane - juxtamembrane (TM-JM) segment in bicelles: MD guided NMR refined structure.
分子名称: Epidermal growth factor receptor
著者Endres, N.F, Das, R, Smith, A, Arkhipov, A, Kovacs, E, Huang, Y, Pelton, J.G, Shan, Y, Shaw, D.E, Wemmer, D.E, Groves, J.T, Kuriyan, J.
登録日2012-12-11
公開日2013-02-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Conformational Coupling across the Plasma Membrane in Activation of the EGF Receptor.
Cell(Cambridge,Mass.), 152, 2013
6QSQ
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BU of 6qsq by Molmil
X-ray crystal structure of the R336L Vibrio alkaline phosphatase variant.
分子名称: 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, Alkaline phosphatase, MAGNESIUM ION, ...
著者Hjorleifsson, J.G, Helland, R, Asgeirsson, B.
登録日2019-02-21
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The high catalytic rate of the cold-active Vibrio alkaline phosphatase requires a hydrogen bonding network involving a large interface loop.
Febs Open Bio, 2020
5L9R
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BU of 5l9r by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with N-oxalylglycine (NOG)
分子名称: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2016-06-10
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
6QUQ
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BU of 6quq by Molmil
Crystal structure of glutathionylated glycolytic glyceraldehyde-3- phosphate dehydrogenase from Arabidopsis thaliana (AtGAPC1)
分子名称: GLUTATHIONE, Glyceraldehyde-3-phosphate dehydrogenase GAPC1, cytosolic, ...
著者Fermani, S, Zaffagnini, M, Falini, G, Trost, P.
登録日2019-02-28
公開日2019-12-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.993 Å)
主引用文献Glutathionylation primes soluble glyceraldehyde-3-phosphate dehydrogenase for late collapse into insoluble aggregates.
Proc.Natl.Acad.Sci.USA, 116, 2019

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