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8RI0
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BU of 8ri0 by Molmil
Crystal structure of Tm1570 domain from Calditerrivibrio nitroreducens in complex with S-adenosyl-L-methionine
分子名称: S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase
著者Kluza, A, Lewandowska, I, Sulkowska, J.
登録日2023-12-18
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Are there double knots in proteins? Prediction and in vitro verification based on TrmD-Tm1570 fusion from C. nitroreducens. To be published
To Be Published
7OMD
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BU of 7omd by Molmil
Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A
分子名称: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one, CHLORIDE ION, Coelenterazine h 2-monooxygenase, ...
著者Schenkmayerova, A, Janin, Y.L, Marek, M.
登録日2021-05-21
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
5KGR
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BU of 5kgr by Molmil
Spin-Labeled T4 Lysozyme Construct I9V1/V131V1 (30 days)
分子名称: CHLORIDE ION, Endolysin, HEXANE-1,6-DIOL, ...
著者Balo, A.R, Feyrer, H, Ernst, O.P.
登録日2016-06-13
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.473 Å)
主引用文献Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
7PHG
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BU of 7phg by Molmil
MaP OF P5C3RBD Interface
分子名称: Heavy ChaIn variable, Light ChaIn, Surface glycoprotein
著者Perez, L.
登録日2021-08-17
公開日2021-10-13
最終更新日2021-10-27
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献A highly potent antibody effective against SARS-CoV-2 variants of concern.
Cell Rep, 37, 2021
5JGZ
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BU of 5jgz by Molmil
Spin-Labeled T4 Lysozyme Construct T151V1
分子名称: CHLORIDE ION, Endolysin, HEXANE-1,6-DIOL, ...
著者Balo, A.R, Feyrer, H, Ernst, O.P.
登録日2016-04-20
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.534 Å)
主引用文献Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
6ZMK
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BU of 6zmk by Molmil
Crystal structure of human GFAT-1 L405R
分子名称: GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1
著者Ruegenberg, S, Mayr, F, Miethe, S, Atanassov, I, Baumann, U, Denzel, M.S.
登録日2020-07-02
公開日2020-08-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献Protein kinase A controls the hexosamine pathway by tuning the feedback inhibition of GFAT-1.
Nat Commun, 12, 2021
5JGU
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BU of 5jgu by Molmil
Spin-Labeled T4 Lysozyme Construct R119V1
分子名称: CHLORIDE ION, Endolysin, PHOSPHATE ION, ...
著者Balo, A.R, Feyrer, H, Ernst, O.P.
登録日2016-04-20
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.468 Å)
主引用文献Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
7OMO
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BU of 7omo by Molmil
Crystal structure of coelenteramine-bound Renilla reniformis luciferase RLuc8-D120A variant
分子名称: 4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol, CHLORIDE ION, GLYCEROL, ...
著者Schenkmayerova, A, Marek, M.
登録日2021-05-24
公開日2022-06-01
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7OMR
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BU of 7omr by Molmil
Crystal structure of coelenteramide-bound Renilla reniformis luciferase RLuc8-D162A variant
分子名称: Coelenterazine h 2-monooxygenase, GLYCEROL, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
著者Schenkmayerova, A, Marek, M.
登録日2021-05-24
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
2BTS
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BU of 2bts by Molmil
STRUCTURE OF CDK2 COMPLEXED WITH PNU-230032
分子名称: 4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
著者Vulpetti, A, Casale, E, Roletto, F, Amici, R, Villa, M, Pevarello, P.
登録日2005-06-06
公開日2005-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-Based Drug Design to the Discovery of New 2-Aminothiazole Cdk2 Inhibitors.
J.Mol.Graph.Model., 24, 2006
5JDT
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BU of 5jdt by Molmil
Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at 100K
分子名称: AZIDE ION, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T.
登録日2016-04-17
公開日2016-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Tracking Transient Conformational States of T4 Lysozyme at Room Temperature Combining X-ray Crystallography and Site-Directed Spin Labeling.
J.Am.Chem.Soc., 138, 2016
6ZMJ
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BU of 6zmj by Molmil
Crystal structure of human GFAT-1 R203H
分子名称: GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1
著者Ruegenberg, S, Mayr, F, Miethe, S, Atanassov, I, Baumann, U, Denzel, M.S.
登録日2020-07-02
公開日2020-08-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.774 Å)
主引用文献Protein kinase A controls the hexosamine pathway by tuning the feedback inhibition of GFAT-1.
Nat Commun, 12, 2021
3TVD
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BU of 3tvd by Molmil
Crystal Structure of Mouse RhoA-GTP complex
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
著者Swaminathan, K, Pal, K, Jobichen, C.
登録日2011-09-20
公開日2012-10-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.989 Å)
主引用文献Crystal structure of mouse RhoA:GTPgammaS complex in a centered lattice.
J.Struct.Funct.Genom., 13, 2012
7PTQ
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BU of 7ptq by Molmil
RNA origami 5-helix tile
分子名称: Chains: C
著者McRae, E.K.S, Andersen, E.S.
登録日2021-09-27
公開日2022-10-05
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.08 Å)
主引用文献Structure, folding and flexibility of co-transcriptional RNA origami.
Nat Nanotechnol, 18, 2023
7PTS
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BU of 7pts by Molmil
RNA origami 5-helix tile
分子名称: 5HT-B
著者McRae, E.K.S, Andersen, E.S.
登録日2021-09-27
公開日2022-10-05
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (5.71 Å)
主引用文献Structure, folding and flexibility of co-transcriptional RNA origami.
Nat Nanotechnol, 18, 2023
7PTL
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BU of 7ptl by Molmil
Mature conformer of a 6-helix bundle of RNA with clasp
分子名称: Chains: B
著者McRae, E.K.S, Andersen, E.S.
登録日2021-09-27
公開日2022-10-05
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structure, folding and flexibility of co-transcriptional RNA origami.
Nat Nanotechnol, 18, 2023
5JGV
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BU of 5jgv by Molmil
Spin-Labeled T4 Lysozyme Construct A73V1
分子名称: CHLORIDE ION, Endolysin, HEXANE-1,6-DIOL, ...
著者Balo, A.R, Feyrer, H, Ernst, O.P.
登録日2016-04-20
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.732 Å)
主引用文献Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
3MKP
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BU of 3mkp by Molmil
Crystal structure of 1K1 mutant of Hepatocyte Growth Factor/Scatter Factor fragment NK1 in complex with heparin
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Gherardi, E, Chirgadze, D.Y, Blundell, T.L.
登録日2010-04-15
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Engineering a fragment of Hepatocyte Growth Factor/Scatter Factor for tissue and organ regeneration
To be Published
2F3E
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BU of 2f3e by Molmil
Crystal Structure of the Bace complex with AXQ093, a macrocyclic inhibitor
分子名称: Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER
著者Rondeau, J.-M.
登録日2005-11-21
公開日2006-09-05
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).
J.Med.Chem., 49, 2006
1M32
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BU of 1m32 by Molmil
Crystal Structure of 2-aminoethylphosphonate Transaminase
分子名称: 2-aminoethylphosphonate-pyruvate aminotransferase, PHOSPHATE ION, PHOSPHONOACETALDEHYDE, ...
著者Chen, C.C.H, Zhang, H, Kim, A.D, Howard, A, Sheldrick, G.M, Mariano-Dunnaway, D, Herzberg, O.
登録日2002-06-26
公開日2002-11-20
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Degradation Pathway of the Phosphonate Ciliatine: Crystal Structure of 2-Aminoethylphosphonate Transaminase
Biochemistry, 41, 2002
5KYJ
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BU of 5kyj by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5FXJ
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BU of 5fxj by Molmil
GluN1b-GluN2B NMDA receptor structure-Class X
分子名称: GLUTAMATE RECEPTOR IONOTROPIC, NMDA 1, NMDA 2B
著者Tajima, N, Karakas, E, Grant, T, Simorowski, N, Diaz-Avalos, R, Grigorieff, N, Furukawa H, H.
登録日2016-03-02
公開日2016-05-25
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.25 Å)
主引用文献Activation of Nmda Receptors and the Mechanism of Inhibition by Ifenprodil.
Nature, 534, 2016
5HSS
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BU of 5hss by Molmil
Linalool dehydratase/isomerase: Ldi with monoterpene substrate
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Beta-Myrcene, Geraniol, ...
著者Weidenweber, S, Marmulla, R, Harder, J, Ermler, U.
登録日2016-01-26
公開日2016-04-27
最終更新日2016-05-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray structure of linalool dehydratase/isomerase from Castellaniella defragrans reveals enzymatic alkene synthesis.
Febs Lett., 590, 2016
2F3F
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BU of 2f3f by Molmil
Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor
分子名称: (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1
著者Rondeau, J.-M.
登録日2005-11-21
公開日2006-09-05
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).
J.Med.Chem., 49, 2006
2FFQ
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BU of 2ffq by Molmil
The crystal structure of human neuronal Rab6B in its active GTPgS-bound form
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-6B
著者Garcia-Saez, I, Tcherniuk, S, Kozielski, F.
登録日2005-12-20
公開日2006-07-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The structure of human neuronal Rab6B in the active and inactive form.
Acta Crystallogr.,Sect.D, 62, 2006

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