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6PK6
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BU of 6pk6 by Molmil
Human PRPF4B bound to benzothiophene inhibitor 329
分子名称: 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-28
公開日2019-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献to be published
To Be Published
2DX5
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BU of 2dx5 by Molmil
The complex structure between the mouse EAP45-GLUE domain and ubiquitin
分子名称: Ubiquitin, Vacuolar protein sorting protein 36
著者Hirano, S, Suzuki, N, Slagsvold, T, Kawasaki, M, Trambaiolo, D, Kato, R, Stenmark, H, Wakatsuki, S.
登録日2006-08-24
公開日2006-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Structural basis of ubiquitin recognition by mammalian Eap45 GLUE domain
Nat.Struct.Mol.Biol., 13, 2006
2E2H
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BU of 2e2h by Molmil
RNA polymerase II elongation complex at 5 mM Mg2+ with GTP
分子名称: 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ...
著者Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D.
登録日2006-11-14
公開日2006-12-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis
Cell(Cambridge,Mass.), 127, 2006
2E4X
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BU of 2e4x by Molmil
Crystal structure of the extracellular region of the group II metabotropic glutamate receptor complexed with 1S,3R-ACPD
分子名称: (1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
著者Muto, T, Tsuchiya, D, Morikawa, K, Jingami, H.
登録日2006-12-17
公開日2007-02-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structures of the extracellular regions of the group II/III metabotropic glutamate receptors
Proc.Natl.Acad.Sci.Usa, 104, 2007
6P24
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BU of 6p24 by Molmil
Escherichia coli tRNA synthetase
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Kahne, D, Baidin, V, Owens, T.W.
登録日2019-05-20
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
2E34
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BU of 2e34 by Molmil
L11 structure with RDC and RG refinement
分子名称: 50S ribosomal protein L11
著者Lee, D, Walsh, J.D, Yu, P, Markus, M.A, Choli-Papadopoulous, T, Schwieters, C.D, Krueger, S, Draper, D.E, Wang, Y.X.
登録日2006-11-20
公開日2007-06-19
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The structure of free L11 and functional dynamics of L11 in free, L11-rRNA(58 nt) binary and L11-rRNA(58 nt)-thiostrepton ternary complexes
J.Mol.Biol., 367, 2007
6F1A
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BU of 6f1a by Molmil
Structure of Mb NMH H64V, V68A mutant complex with EDA incubated at room temperature for 20 min
分子名称: ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2017-11-21
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
3M96
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BU of 3m96 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
分子名称: 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-03-20
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII.
Bioorg.Med.Chem., 18, 2010
6I3N
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BU of 6i3n by Molmil
Helical MyD88 death domain filament
分子名称: Myeloid differentiation primary response protein MyD88
著者Moncrieffe, M.C, Bollschweiler, D, Penczek, P.A.P, Gay, N.J.
登録日2018-11-06
公開日2019-11-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献MyD88 Death-Domain Oligomerization Determines Myddosome Architecture: Implications for Toll-like Receptor Signaling.
Structure, 28, 2020
6SFR
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BU of 6sfr by Molmil
SOS1 in Complex with Inhibitor BI-68BS
分子名称: 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1
著者Kessler, D, Fischer, G, Ramharter, J.
登録日2019-08-02
公開日2020-08-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.917 Å)
主引用文献BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
6IB1
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BU of 6ib1 by Molmil
Icosahedrally averaged capsid of empty particle of bacteriophage P68
分子名称: Major head protein, Uncharacterized protein
著者Hrebik, D, Skubnik, K, Fuzik, T, Plevka, P.
登録日2018-11-28
公開日2019-11-06
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and genome ejection mechanism ofStaphylococcus aureusphage P68.
Sci Adv, 5, 2019
1KNB
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BU of 1knb by Molmil
CRYSTAL STRUCTURE OF THE RECEPTOR-BINDING DOMAIN OF ADENOVIRUS TYPE 5 FIBER PROTEIN AT 1.7 ANGSTROMS RESOLUTION
分子名称: ADENOVIRUS TYPE 5 FIBER PROTEIN
著者Xia, D, Henry, L.J, Gerard, R.D, Deisenhofer, J.
登録日1995-01-06
公開日1995-03-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the receptor-binding domain of adenovirus type 5 fiber protein at 1.7 A resolution.
Structure, 2, 1994
6SC9
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BU of 6sc9 by Molmil
dAb3/HOIP-RBR-HOIPIN-8
分子名称: 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid, CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, ...
著者Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
登録日2019-07-23
公開日2019-11-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
1L3A
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BU of 1l3a by Molmil
Structure of the plant transcriptional regulator PBF-2
分子名称: p24: plant transcriptional regulator PBF-2
著者Desveaux, D, Allard, J, Brisson, N, Sygusch, J.
登録日2002-02-26
公開日2002-06-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A new family of plant transcription factors displays a novel ssDNA-binding surface.
Nat.Struct.Biol., 9, 2002
6SAK
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BU of 6sak by Molmil
Structure of the OTULINcat C129A - SNX27 PDZ domain complex.
分子名称: GLYCEROL, SULFATE ION, Sorting nexin-27, ...
著者Elliott, P.R, Komander, D.
登録日2019-07-17
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Regulation of the endosomal SNX27-retromer by OTULIN.
Nat Commun, 10, 2019
2E4U
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BU of 2e4u by Molmil
Crystal structure of the extracellular region of the group II metabotropic glutamate receptor complexed with L-glutamate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, Metabotropic glutamate receptor 3
著者Muto, T, Tsuchiya, D, Morikawa, K, Jingami, H.
登録日2006-12-17
公開日2007-02-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structures of the extracellular regions of the group II/III metabotropic glutamate receptors
Proc.Natl.Acad.Sci.Usa, 104, 2007
8BGG
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BU of 8bgg by Molmil
Cryo-EM structure of SARS-CoV-2 spike (Omicron BA.1 variant) in complex with nanobody W25 (map 5, focus refinement on RBD, W25 and adjacent NTD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody W25, Spike glycoprotein, ...
著者Modhiran, N, Lauer, S, Spahn, C.M.T, Watterson, D, Schwefel, D.
登録日2022-10-27
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (6.04 Å)
主引用文献Cryo-EM structure of SARS-CoV-2 spike (Omicron BA.1 variant) in complex with nanobody W25 (map 5, focus refinement on RBD, W25 and adjacent NTD)
To Be Published
2E2I
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BU of 2e2i by Molmil
RNA polymerase II elongation complex in 5 mM Mg+2 with 2'-dGTP
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', ...
著者Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D.
登録日2006-11-14
公開日2006-12-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis
Cell(Cambridge,Mass.), 127, 2006
6LT0
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BU of 6lt0 by Molmil
cryo-EM structure of C9ORF72-SMCR8-WDR41
分子名称: Guanine nucleotide exchange C9orf72, Guanine nucleotide exchange protein SMCR8, WD repeat-containing protein 41
著者Tang, D, Sheng, J, Xu, L, Zhan, X, Yan, C, Qi, S.
登録日2020-01-21
公開日2020-04-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of C9ORF72-SMCR8-WDR41 reveals the role as a GAP for Rab8a and Rab11a.
Proc.Natl.Acad.Sci.USA, 117, 2020
2E4Y
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BU of 2e4y by Molmil
Crystal structure of the extracellular region of the group II metabotropic glutamate receptor complexed with 2R,4R-APDC
分子名称: (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
著者Muto, T, Tsuchiya, D, Morikawa, K, Jingami, H.
登録日2006-12-17
公開日2007-02-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structures of the extracellular regions of the group II/III metabotropic glutamate receptors
Proc.Natl.Acad.Sci.Usa, 104, 2007
6LTV
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BU of 6ltv by Molmil
Crystal Structure of I122A/I330A variant of S-adenosylmethionine synthetase from Cryptosporidium hominis in complex with ONB-SAM (2-nitro benzyme S-adenosyl-methionine)
分子名称: MAGNESIUM ION, S-adenosylmethionine synthase, TRIPHOSPHATE, ...
著者Singh, R.K, Michailidou, F, Rentmeister, A, Kuemmel, D.
登録日2020-01-23
公開日2020-10-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Engineered SAM Synthetases for Enzymatic Generation of AdoMet Analogs with Photocaging Groups and Reversible DNA Modification in Cascade Reactions.
Angew.Chem.Int.Ed.Engl., 60, 2021
1LP4
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BU of 1lp4 by Molmil
Crystal structure of a binary complex of the catalytic subunit of protein kinase CK2 with Mg-AMPPNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein kinase CK2
著者Niefind, K, Puetter, M, Guerra, B, Issinger, O.-G, Schomburg, D.
登録日2002-05-07
公開日2002-05-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate.
J.Mol.Biol., 347, 2005
2EEK
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BU of 2eek by Molmil
Crystal structure of Atlantic cod trypsin complexed with benzamidine
分子名称: BENZAMIDINE, CALCIUM ION, SODIUM ION, ...
著者Iyaguchi, D, Toyota, E.
登録日2007-02-15
公開日2008-02-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of Atlantic cod trypsin complexed with benzamidine
To be Published
6EVR
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BU of 6evr by Molmil
Crystal structure of human carbonic anhydrase I in complex with the 4-(4 acetyl-3-benzylpiperazine-1 carbonyl)benzene-1-sulfonamide inhibitor
分子名称: 4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ...
著者Ferraroni, M, Supuran, C.T, Chiapponi, D, Chiaramonte, N.
登録日2017-11-02
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献2-Benzylpiperazine: A new scaffold for potent human carbonic anhydrase inhibitors. Synthesis, enzyme inhibition, enantioselectivity, computational and crystallographic studies and in vivo activity for a new class of intraocular pressure lowering agents.
Eur J Med Chem, 151, 2018
6HMD
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BU of 6hmd by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR AR18
分子名称: 1,2-ETHANEDIOL, 5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ...
著者Niefind, K, Lindenblatt, D, Jose, J, Le Borgne, M.
登録日2018-09-12
公開日2019-03-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019

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