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8PFF
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Galectin-3C in complex with a triazolesulfone derivative
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, MAGNESIUM ION, ...
著者Kumar, R, Mahanti, M, Nilsson, U.J, Logan, D.T.
登録日2023-06-15
公開日2023-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds.
J.Med.Chem., 66, 2023
8PWA
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BU of 8pwa by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA4)
分子名称: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7~{H}-purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
登録日2023-07-19
公開日2023-11-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
8PKW
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BU of 8pkw by Molmil
Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 5 (ortho-WRCDPETaEC).
分子名称: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Braun, M.B, Bischof, L, Hartmann, M.D.
登録日2023-06-27
公開日2023-11-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
8PWB
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BU of 8pwb by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA6)
分子名称: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
登録日2023-07-19
公開日2023-11-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
8PW9
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BU of 8pw9 by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA1)
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
登録日2023-07-19
公開日2023-11-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
8PKX
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BU of 8pkx by Molmil
Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 11 (ortho-WRCNPETaEC).
分子名称: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Braun, M.B, Bischof, L, Hartmann, M.D.
登録日2023-06-27
公開日2023-11-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
8PKU
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BU of 8pku by Molmil
Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC).
分子名称: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Braun, M.B, Bischof, L, Hartmann, M.D.
登録日2023-06-27
公開日2023-11-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
8PKV
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BU of 8pkv by Molmil
Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 4 (ortho-WRCDEETGEC).
分子名称: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Braun, M.B, Bischof, L, Hartmann, M.D.
登録日2023-06-27
公開日2023-11-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
1RKB
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BU of 1rkb by Molmil
The structure of adrenal gland protein AD-004
分子名称: LITHIUM ION, Protein AD-004, SULFATE ION
著者Ren, H, Liang, Y, Bennett, M, Su, X.D.
登録日2003-11-21
公開日2005-01-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of human adenylate kinase 6: An adenylate kinase localized to the cell nucleus
Proc.Natl.Acad.Sci.Usa, 102, 2005
4BIX
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BU of 4bix by Molmil
Crystal structure of CpxAHDC (monoclinic form 1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SENSOR PROTEIN CPXA, ...
著者Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M.
登録日2013-04-13
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation.
Plos Biol., 12, 2014
1PPM
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BU of 1ppm by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION-STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHORUS-CONTAINING PEPTIDE ANALOGUES
分子名称: N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl }-L-alaninamide, PENICILLOPEPSIN, SULFATE ION, ...
著者Fraser, M.E, James, M.N.G.
登録日1992-06-01
公開日1993-10-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic analysis of transition-state mimics bound to penicillopepsin: phosphorus-containing peptide analogues.
Biochemistry, 31, 1992
3ZU7
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BU of 3zu7 by Molmil
Crystal structure of a designed selected Ankyrin Repeat protein in complex with the MAP kinase ERK2
分子名称: DESIGNED ANKYRIN REPEAT PROTEIN, MITOGEN-ACTIVATED PROTEIN KINASE 1
著者Kummer, L, Mittl, P.R, Pluckthun, A.
登録日2011-07-16
公開日2012-06-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural and Functional Analysis of Phosphorylation-Specific Binders of the Kinase Erk from Designed Ankyrin Repeat Protein Libraries.
Proc.Natl.Acad.Sci.USA, 109, 2012
3ZUV
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BU of 3zuv by Molmil
Crystal structure of a designed selected Ankyrin Repeat protein in complex with the phosphorylated MAP kinase ERK2
分子名称: DESIGNED ANKYRIN REPEAT PROTEIN, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION
著者Kummer, L, Mittl, P.R, Pluckthun, A.
登録日2011-07-20
公開日2012-06-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural and Functional Analysis of Phosphorylation-Specific Binders of the Kinase Erk from Designed Ankyrin Repeat Protein Libraries.
Proc.Natl.Acad.Sci.USA, 109, 2012
2P32
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BU of 2p32 by Molmil
Crystal structure of the C-terminal 10 kDa subdomain from C. elegans Hsp70
分子名称: Heat shock 70 kDa protein A, SULFATE ION
著者Worrall, L.J, Walkinshaw, M.D.
登録日2007-03-08
公開日2007-04-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of the C-terminal three-helix bundle subdomain of C. elegans Hsp70.
Biochem.Biophys.Res.Commun., 357, 2007
1IB1
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BU of 1ib1 by Molmil
CRYSTAL STRUCTURE OF THE 14-3-3 ZETA:SEROTONIN N-ACETYLTRANSFERASE COMPLEX
分子名称: 14-3-3 ZETA ISOFORM, COA-S-ACETYL TRYPTAMINE, SEROTONIN N-ACETYLTRANSFERASE
著者Obsil, T, Ghirlando, R, Klein, D.C, Ganguly, S, Dyda, F.
登録日2001-03-26
公開日2001-05-02
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the 14-3-3zeta:serotonin N-acetyltransferase complex. a role for scaffolding in enzyme regulation.
Cell(Cambridge,Mass.), 105, 2001
7Z0O
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BU of 7z0o by Molmil
Structure of transcription factor UAF in complex with TBP and 35S rRNA promoter DNA
分子名称: Histone H3, Histone H4, Non-template DNA, ...
著者Baudin, F, Murciano, B, Fung, H.K.H, Fromm, S.A, Mueller, C.W.
登録日2022-02-23
公開日2022-04-27
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanism of RNA polymerase I selection by transcription factor UAF.
Sci Adv, 8, 2022
1APZ
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BU of 1apz by Molmil
HUMAN ASPARTYLGLUCOSAMINIDASE COMPLEX WITH REACTION PRODUCT
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARTIC ACID, ASPARTYLGLUCOSAMINIDASE, ...
著者Rouvinen, J, Oinonen, C.
登録日1995-06-14
公開日1996-12-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three-dimensional structure of human lysosomal aspartylglucosaminidase.
Nat.Struct.Biol., 2, 1995
1W98
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BU of 1w98 by Molmil
The structural basis of CDK2 activation by cyclin E
分子名称: CELL DIVISION PROTEIN KINASE 2, G1/S-SPECIFIC CYCLIN E1
著者Lowe, E.D, Honda, R, Dubinina, E, Skamnaki, V, Cook, A, Johnson, L.N.
登録日2004-10-07
公開日2005-02-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Structure of Cyclin E1/Cdk2: Implications for Cdk2 Activation and Cdk2-Independent Roles
Embo J., 24, 2005
3CBS
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BU of 3cbs by Molmil
CELLULAR RETINOIC ACID BINDING PROTEIN II IN COMPLEX WITH A SYNTHETIC RETINOIC ACID (RO-12 7310)
分子名称: (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid, PROTEIN (CRABP-II)
著者Chaudhuri, B, Kleywegt, G.J, Bergfors, T, Jones, T.A.
登録日1999-02-22
公開日1999-12-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of cellular retinoic acid binding proteins I and II in complex with synthetic retinoids.
Acta Crystallogr.,Sect.D, 55, 1999
7ZJX
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BU of 7zjx by Molmil
Rabbit 80S ribosome programmed with SECIS and SBP2
分子名称: 18S rRNA, 28S rRNA, 40S Ribosomal protein eS19, ...
著者Hilal, T, Simonovic, M, Spahn, C.M.T.
登録日2022-04-12
公開日2022-09-07
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the mammalian ribosome as it decodes the selenocysteine UGA codon.
Science, 376, 2022
1JLU
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BU of 1jlu by Molmil
Crystal Structure of the Catalytic Subunit of cAMP-dependent Protein Kinase Complexed with a Phosphorylated Substrate Peptide and Detergent
分子名称: AMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ...
著者Madhusudan, Trafny, E.A, Xuong, N.-H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M.
登録日2001-07-16
公開日2001-08-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer.
Protein Sci., 3, 1994
7ZKI
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BU of 7zki by Molmil
Cryo-EM structure of aIF1A:aIF5B:Met-tRNAiMet complex from a Pyrococcus abyssi 30S initiation complex
分子名称: MAGNESIUM ION, METHIONINE, Met-tRNAiMet, ...
著者Coureux, P.D, Bourgeois, G, Mechulam, Y, Schmitt, E, Kazan, R.
登録日2022-04-13
公開日2022-07-20
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Role of aIF5B in archaeal translation initiation.
Nucleic Acids Res., 50, 2022
3LUD
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BU of 3lud by Molmil
Crystal structure of MID domain from hAGO2 in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, Protein argonaute-2
著者Frank, F, Sonenberg, N, Nagar, B.
登録日2010-02-17
公開日2010-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Structural basis for 5'-nucleotide base-specific recognition of guide RNA by human AGO2.
Nature, 465, 2010
3LUK
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BU of 3luk by Molmil
Crystal structure of MID domain from hAGO2
分子名称: GLYCEROL, PHOSPHATE ION, Protein argonaute-2
著者Frank, F, Sonenberg, N, Nagar, B.
登録日2010-02-17
公開日2010-05-26
最終更新日2014-04-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for 5'-nucleotide base-specific recognition of guide RNA by human AGO2.
Nature, 465, 2010
3ZUP
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BU of 3zup by Molmil
The 3-dimensional structure of MpgP from Thermus thermophilus HB27, in complex with the alpha-mannosylglycerate and orthophosphate reaction products.
分子名称: (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid, MAGNESIUM ION, MANNOSYL-3-PHOSPHOGLYCERATE PHOSPHATASE, ...
著者Goncalves, S, Esteves, A.M, Santos, H, Borges, N, Matias, P.M.
登録日2011-07-19
公開日2011-10-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献The Three-Dimensional Structure of Mannosyl-3-Phosphoglycerate Phosphatase from Thermus Thermophilus Hb27: A New Member of the Haloalkanoic Acid Dehalogenase Superfamily.
Biochemistry, 50, 2011

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