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7N14
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Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4
分子名称: 4-(1H-1,2,4-triazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bruning, J.B, Bell, S.G.
登録日2021-05-26
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.537 Å)
主引用文献To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme.
Inorg.Chem., 61, 2022
8SFF
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CCT G beta 5 complex closed state 0
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
著者Wang, S, Sass, M, Willardson, B.M, Shen, P.S.
登録日2023-04-11
公開日2023-10-25
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
6ENZ
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Crystal structure of mouse GADL1
分子名称: Acidic amino acid decarboxylase GADL1, PYRIDOXAL-5'-PHOSPHATE
著者Raasakka, A, Mahootchi, E, Winge, I, Luan, W, Kursula, P, Haavik, J.
登録日2017-10-07
公開日2018-01-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the mouse acidic amino acid decarboxylase GADL1.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6EO7
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X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GA68B2 - MODIFIED HUMAN THROMBIN BINDING APTAMER, ...
著者Dolot, R.M, Nawrot, B, Yang, X.
登録日2017-10-09
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
Nucleic Acids Res., 46, 2018
4MF2
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Structure of human DNA polymerase beta complexed with O6MG as the template base in a 1-nucleotide gapped DNA
分子名称: DNA polymerase beta, SODIUM ION, synthetic downstream primer, ...
著者Koag, M.C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-08-27
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Metal-dependent conformational activation explains highly promutagenic replication across O6-methylguanine by human DNA polymerase beta.
J.Am.Chem.Soc., 136, 2014
8SGQ
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CCT G beta 5 complex intermediate state
分子名称: ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ...
著者Wang, S, Sass, M, Willardson, B.M, Shen, P.S.
登録日2023-04-12
公開日2023-11-01
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
6EOO
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DPP8 - Apo, space group 20
分子名称: Dipeptidyl peptidase 8
著者Ross, B.R, Huber, R.
登録日2017-10-10
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7NMS
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InlB392_T332E: T332E variant of Listeria monocytogenes InlB (internalin B) residues 36-392
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Internalin B, ...
著者Geerds, C, Niemann, H.H.
登録日2021-02-23
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A recurring packing contact in crystals of InlB pinpoints functional binding sites in the internalin domain and the B repeat.
Acta Crystallogr D Struct Biol, 78, 2022
6EPL
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Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C)
分子名称: GLYCEROL, GTPase KRas, Son of sevenless homolog 1
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Briem, H, Petersen, K, Badock, V.
登録日2017-10-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6EPO
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BU of 6epo by Molmil
RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3
分子名称: 3-(4-chlorophenyl)propan-1-amine, GLYCEROL, GTPase KRas, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V.
登録日2017-10-12
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
8SR4
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BU of 8sr4 by Molmil
particulate methane monooxygeanse treated with potassium cyanide and copper reloaded
分子名称: Ammonia monooxygenase/methane monooxygenase, subunit C family protein, COPPER (II) ION, ...
著者Tucci, F.J, Jodts, R.J, Rosenzweig, A.C.
登録日2023-05-05
公開日2023-11-15
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Product analog binding identifies the copper active site of particulate methane monooxygenase.
Nat Catal, 6, 2023
6EQ9
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BU of 6eq9 by Molmil
Crystal structure of JNK3 in complex with AMP-PCP
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Macedo, J.T, Stehle, T, Blaum, B.S.
登録日2017-10-12
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
6ELQ
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BU of 6elq by Molmil
Carbon Monoxide Dehydrogenase IV from Carboxydothermus hydrogenoformans
分子名称: Carbon Monoxide Dehydrogenase, FE(4)-NI(1)-S(5) CLUSTER with Oxygen, IRON/SULFUR CLUSTER
著者Domnik, L, Goetzl, S, Jeoung, J.H, Dobbek, H.
登録日2017-09-29
公開日2018-01-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献CODH-IV: A High-Efficiency CO-Scavenging CO Dehydrogenase with Resistance to O2.
Angew. Chem. Int. Ed. Engl., 56, 2017
4LPJ
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BU of 4lpj by Molmil
One minute iron loaded frog M ferritin
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2013-07-16
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
6EM9
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BU of 6em9 by Molmil
S.aureus ClpC resting state, asymmetric map
分子名称: ATP-dependent Clp protease ATP-binding subunit ClpC
著者Carroni, M, Mogk, A, Bukau, B, Franke, K.
登録日2017-10-01
公開日2017-12-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.4 Å)
主引用文献Regulatory coiled-coil domains promote head-to-head assemblies of AAA+ chaperones essential for tunable activity control.
Elife, 6, 2017
4LPN
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BU of 4lpn by Molmil
Frog M-ferritin with cobalt, D127E mutant
分子名称: CHLORIDE ION, COBALT (II) ION, Ferritin, ...
著者Torres, R, Behera, R, Goulding, C.W.
登録日2013-07-16
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献D127E ion channel exit modification in ferritin nanocages entraps Fe(II) and impairs its distribution to diiron catalytic centers
To be Published
8SWA
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BU of 8swa by Molmil
Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with SAM and PPNP
分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, POTASSIUM ION, ...
著者Bruemmer, K.J, Pham, V.N, Toh, J.D.W.
登録日2023-05-18
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Formaldehyde regulates S -adenosylmethionine biosynthesis and one-carbon metabolism.
Science, 382, 2023
8SMD
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BU of 8smd by Molmil
Structure of Clostridium botulinum prophage Tad1 in complex with 1''-3' gcADPR
分子名称: (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, ABC transporter ATPase
著者Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J.
登録日2023-04-26
公開日2023-11-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
4MDG
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BU of 4mdg by Molmil
Closo Carborane Carbonic Anhydrase Inhibitor
分子名称: 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Mader, P, Rezacova, P.
登録日2013-08-22
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Carborane-based carbonic anhydrase inhibitors.
Angew.Chem.Int.Ed.Engl., 52, 2013
6E32
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Capsid protein of PCV2 with N,O6-DISULFO-GLUCOSAMINE
分子名称: 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, Capsid protein of PCV2
著者Khayat, R, Dhindwal, S.
登録日2018-07-13
公開日2018-12-26
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
6E67
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Structure of beta2 adrenergic receptor fused to a Gs peptide
分子名称: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Beta-2 adrenergic receptor,Endolysin,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,Beta-2 adrenergic receptor chimera
著者Liu, X, Xu, X, Hilger, D, Tiemann, J, Liu, H, Du, Y, Hirata, K, Sun, X, Guixa-Gonzalez, R, Mathiesen, J, Hildebrand, P, Kobilka, B.
登録日2018-07-24
公開日2019-06-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural Insights into the Process of GPCR-G Protein Complex Formation.
Cell, 177, 2019
8EU9
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Class1 of the INO80-Nucleosome complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ...
著者Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G.
登録日2022-10-18
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
8EXK
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Crystal structure of PTP1B D181A/Q262A phosphatase domain with JAK2 activation loop phosphopeptide
分子名称: PHOSPHATE ION, Tyrosine-protein kinase JAK2 activation loop peptide, Tyrosine-protein phosphatase non-receptor type 1
著者Morris, R, Kershaw, N.J, Babon, J.J.
登録日2022-10-25
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EEU
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Venezuelan equine encephalitis virus-like particle in complex with Fab SKT05
分子名称: Coat protein, Fab SKT05 heavy chain, Fab SKT05 light chain
著者Tsybovsky, Y, Pletnev, S, Verardi, R, Roederer, M, Kwong, P.D.
登録日2022-09-07
公開日2023-07-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
8SR5
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particulate methane monooxygenase potassium cyanide treated
分子名称: Ammonia monooxygenase/methane monooxygenase, subunit C family protein, COPPER (II) ION, ...
著者Tucci, F.J, Rosenzweig, A.C.
登録日2023-05-05
公開日2023-11-29
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Product analog binding identifies the copper active site of particulate methane monooxygenase.
Nat Catal, 6, 2023

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