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6DAX
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X-ray crystal structure of VioC bound to Fe(II), L-homoarginine, and 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ...
著者Dunham, N.P, Mitchell, A.J, Boal, A.K.
登録日2018-05-02
公開日2018-05-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
5XEW
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BU of 5xew by Molmil
Crystal structure of the [Ni2+-(chromomycin A3)2]-CCG repeats complex
分子名称: (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ...
著者Tseng, W.H, Wu, P.C, Hou, M.H.
登録日2017-04-06
公開日2017-06-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Induced-Fit Recognition of CCG Trinucleotide Repeats by a Nickel-Chromomycin Complex Resulting in Large-Scale DNA Deformation
Angew. Chem. Int. Ed. Engl., 56, 2017
4X4C
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BU of 4x4c by Molmil
RADIATION DAMAGE TO THE NUCLEOPROTEIN COMPLEX C.Esp1396I: DOSE (DWD) 6.2 MGy
分子名称: 35-MER DNA, Regulatory protein
著者Bury, C.S, McGeehan, J.E, Garman, E.F.
登録日2014-12-02
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Radiation damage to nucleoprotein complexes in macromolecular crystallography.
J.Synchrotron Radiat., 22, 2015
8IEI
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BU of 8iei by Molmil
Cryo-EM structure of GPR156A/B of G-protein free GPR156 (local refine)
分子名称: Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
著者Shin, J, Park, J, Cho, Y.
登録日2023-02-15
公開日2024-02-14
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
6S0B
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BU of 6s0b by Molmil
Crystal Structure of Properdin in complex with the CTC domain of C3/C3b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, Properdin, ...
著者van den Bos, R.M, Pearce, N.M, Gros, P.
登録日2019-06-14
公開日2019-09-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Insights Into Enhanced Complement Activation by Structures of Properdin and Its Complex With the C-Terminal Domain of C3b.
Front Immunol, 10, 2019
8IEB
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BU of 8ieb by Molmil
Cryo-EM structure of GPR156 of GPR156-miniGo-scFv16 complex (local refine)
分子名称: Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
著者Shin, J, Park, J, Cho, Y.
登録日2023-02-15
公開日2024-02-14
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
4XJC
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BU of 4xjc by Molmil
dCTP deaminase-dUTPase from Bacillus halodurans
分子名称: DI(HYDROXYETHYL)ETHER, Deoxycytidine triphosphate deaminase, MAGNESIUM ION, ...
著者Oehlenschlaeger, C, Loevgreen, M, Willemoes, M, Harris, P.
登録日2015-01-08
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Bacillus halodurans Strain C125 Encodes and Synthesizes Enzymes from Both Known Pathways To Form dUMP Directly from Cytosine Deoxyribonucleotides.
Appl.Environ.Microbiol., 81, 2015
8PM0
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BU of 8pm0 by Molmil
Influenza A/H7N9 polymerase in replicase-like conformation in pre-initiation state with Pol II pS5 CTD peptide mimic bound in site 1A/2A
分子名称: 51-mer vRNA loop (v51_mut_S), MAGNESIUM ION, Polymerase acidic protein, ...
著者Arragain, B, Cusack, S.
登録日2023-06-27
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome.
Nat Commun, 15, 2024
6O5E
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BU of 6o5e by Molmil
Crystal structure of the Vitronectin hemopexin-like domain
分子名称: CHLORIDE ION, IMIDAZOLE, NITRATE ION, ...
著者Lechtenberg, B.C, Shin, K, Marassi, F.M.
登録日2019-03-01
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail.
Sci Adv, 5, 2019
4XHV
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BU of 4xhv by Molmil
Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, LP20995p, ...
著者Driller, J.H, Muhammad, K.G.H, Reddy, S, Rey, U, Boehme, M.A, Hollmann, C, Ramesh, N, Depner, H, Luetzkendorf, J, Matkovic, T, Bergeron, D, Quentin, C, Schmoranzer, J, Goettfert, F, Holt, M, Wahl, M.C, Hell, S.W, Walter, A, Sigrist, S.J, Loll, B.
登録日2015-01-06
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function.
Nat Commun, 6, 2015
6ZSK
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BU of 6zsk by Molmil
Cytochrome c prime beta from Methylococcus capsulatus (Bath): CO complex
分子名称: CARBON MONOXIDE, Cytochrome c, GLYCEROL, ...
著者Adams, H.R, Hough, M.A.
登録日2020-07-15
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献to be published
To Be Published
1OGY
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BU of 1ogy by Molmil
Crystal structure of the heterodimeric nitrate reductase from Rhodobacter sphaeroides
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DIHEME CYTOCHROME C NAPB MOLECULE: NITRATE REDUCTASE, HEME C, ...
著者Arnoux, P, Sabaty, M, Alric, J, Frangioni, B, Guigliarelli, B, Adriano, J.-M, Pignol, D.
登録日2003-05-19
公開日2003-10-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and Redox Plasticity in the Heterodimeric Periplasmic Nitrate Reductase
Nat.Struct.Biol., 10, 2003
4XOQ
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BU of 4xoq by Molmil
F420 complex of coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain)
分子名称: COENZYME F420, Coenzyme F420:L-glutamate ligase, SULFATE ION
著者Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J.
登録日2015-01-16
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
8S94
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BU of 8s94 by Molmil
Structure of C-terminal domains of Walker B mutated MCM8/9 heterohexamer complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA helicase MCM8, DNA helicase MCM9, ...
著者Li, C, Gao, Y.
登録日2023-03-27
公開日2023-06-07
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (3.94 Å)
主引用文献Activity, substrate preference and structure of the HsMCM8/9 helicase.
Nucleic Acids Res., 51, 2023
6V9K
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BU of 6v9k by Molmil
CRYSTAL STRUCTURE OF THE HYBRID C-TERMINAL DOMAIN OF ENZYME I OF THE BACTERIAL PHOSPHOTRANSFERASE SYSTEM FORMED BY HYBRIDIZING THE SCAFFOLD OF THE ESCHERICHIA COLI ENZYME WITH THE ACTIVE SITE LOOPS FROM THE THERMOANAEROBACTER TENGCONGENSIS ENZYME
分子名称: MAGNESIUM ION, Phosphoenolpyruvate-protein phosphotransferase
著者Stewart Jr, C.E.
登録日2019-12-13
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hybrid Thermophilic/Mesophilic Enzymes Reveal a Role for Conformational Disorder in Regulation of Bacterial Enzyme I.
J.Mol.Biol., 432, 2020
6OTL
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BU of 6otl by Molmil
Structure of Aedes aegypti OBP22 in the complex with benzaldehyde
分子名称: AAEL005772-PA, BENZOIC ACID, HEXATANTALUM DODECABROMIDE, ...
著者Jones, D.N, Murphy, E.
登録日2019-05-03
公開日2019-06-12
最終更新日2020-05-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
4Q6Z
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BU of 4q6z by Molmil
LpoB C-terminal domain from Escherichia coli
分子名称: Penicillin-binding protein activator LpoB
著者King, D.T, Strynadka, N.C.J.
登録日2014-04-23
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Insights into the Lipoprotein Outer Membrane Regulator of Penicillin-binding Protein 1B.
J.Biol.Chem., 289, 2014
6P2E
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BU of 6p2e by Molmil
Structure of Aedes aegypti OBP22 in the complex with benzaldehyde
分子名称: BENZOIC ACID, GLYCEROL, OBP22, ...
著者Jones, D.N, Murphy, E.
登録日2019-05-21
公開日2019-07-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
5TJ5
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BU of 5tj5 by Molmil
Atomic model for the membrane-embedded motor of a eukaryotic V-ATPase
分子名称: V-type proton ATPase subunit a, V-type proton ATPase subunit c, V-type proton ATPase subunit c', ...
著者Mazhab-Jafari, M.T, Rohou, A, Schmidt, C, Bueler, S.A, Benlekbir, S, Robinson, C.V, Rubinstein, J.L.
登録日2016-10-03
公開日2016-10-26
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Atomic model for the membrane-embedded VO motor of a eukaryotic V-ATPase.
Nature, 539, 2016
8IUG
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BU of 8iug by Molmil
Cryo-EM structure of the RC-LH core complex from roseiflexus castenholzii
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-O-octyl-beta-D-glucopyranose, ...
著者Wang, G.-L, Qi, C.-H, Yu, L.-J.
登録日2023-03-24
公開日2023-11-22
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献New insights on the photocomplex of Roseiflexus castenholzii revealed from comparisons of native and carotenoid-depleted complexes.
J.Biol.Chem., 299, 2023
4XX5
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BU of 4xx5 by Molmil
Structure of PI3K gamma in complex with an inhibitor
分子名称: N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M.
登録日2015-01-29
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure of PI3K gamma in complex with an inhibitor
To Be Published
4XZ4
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BU of 4xz4 by Molmil
Structure of PI3K gamma in complex with an inhibitor
分子名称: N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M.
登録日2015-02-03
公開日2016-02-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of PI3K gamma in complex with an inhibitor
To Be Published
1FD0
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BU of 1fd0 by Molmil
ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID SR11254
分子名称: 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1
著者Klaholz, B.P, Moras, D, Structural Proteomics in Europe (SPINE)
登録日2000-07-19
公開日2002-09-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献C-H...O hydrogen bonds in the nuclear receptor RARgamma--a potential tool for drug selectivity.
Structure, 10, 2002
5FTQ
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BU of 5ftq by Molmil
Crystal structure of the ALK kinase domain in complex with Cmpd 17
分子名称: ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE
著者Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P.
登録日2016-01-14
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
8D1P
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BU of 8d1p by Molmil
Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 7-Deaza-2'-C-methyladenosine
分子名称: 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Chaperone DnaK, SULFATE ION
著者Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W.
登録日2022-05-27
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022

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