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4WFT
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Crystal structure of tRNA-dihydrouridine(20) synthase dsRBD domain
分子名称: tRNA-dihydrouridine(20) synthase [NAD(P)+]-like
著者Bou-Nader, C, Pecqueur, L, Kamah, A, Bregeon, D, Golinelli-Pimpaneau, B, Guimaraes, B.G, Fontecave, M, Hamdane, D.
登録日2014-09-17
公開日2015-10-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An extended dsRBD is required for post-transcriptional modification in human tRNAs.
Nucleic Acids Res., 43, 2015
3FZG
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Structure of the 16S rRNA methylase ArmA
分子名称: 16S rRNA methylase, S-ADENOSYLMETHIONINE
著者Schmitt, E, Galimand, M, Panvert, M, Courvalin, P, Mechulam, Y.
登録日2009-01-26
公開日2009-08-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural bases for 16 S rRNA methylation catalyzed by ArmA and RmtB methyltransferases
J.Mol.Biol., 388, 2009
7C75
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Crystal structure of yak lactoperoxidase with partially coordinated Na ion in the distal heme cavity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ...
著者Singh, P.K, Viswanathan, V, Rani, C, Ahmad, N, Sharma, P, Kaur, P, Sharma, S, Singh, T.P.
登録日2020-05-22
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution.
J.Biol.Inorg.Chem., 26, 2021
6HWO
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BU of 6hwo by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335
分子名称: 1,2-ETHANEDIOL, 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Brown, D.G.
登録日2018-10-12
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
5WM0
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BU of 5wm0 by Molmil
Crystal structure of apo wild type peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide (peptide not observed)
分子名称: Peptidyl-glycine alpha-amidating monooxygenase
著者Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
登録日2017-07-28
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
7C2V
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BU of 7c2v by Molmil
Crystal Structure of IRAK4 kinase in complex with the inhibitor CA-4948
分子名称: 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Krishnamurthy, N.R, Robert, B.
登録日2020-05-09
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies.
Acs Med.Chem.Lett., 11, 2020
7C2W
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Crystal Structure of IRAK4 kinase in complex with a small molecule inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide
著者Krishnamurthy, N.R, Anirudha, L.
登録日2020-05-09
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies.
Acs Med.Chem.Lett., 11, 2020
1CKE
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BU of 1cke by Molmil
CMP KINASE FROM ESCHERICHIA COLI FREE ENZYME STRUCTURE
分子名称: PROTEIN (CYTIDINE MONOPHOSPHATE KINASE), SULFATE ION
著者Briozzo, P, Golinelli-Pimpaneau, B.
登録日1998-09-24
公開日1999-09-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structures of escherichia coli CMP kinase alone and in complex with CDP: a new fold of the nucleoside monophosphate binding domain and insights into cytosine nucleotide specificity.
Structure, 6, 1998
1A0L
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BU of 1a0l by Molmil
HUMAN BETA-TRYPTASE: A RING-LIKE TETRAMER WITH ACTIVE SITES FACING A CENTRAL PORE
分子名称: (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid, BETA-TRYPTASE
著者Pereira, P.J.B, Bergner, A, Macedo-Ribeiro, S, Huber, R, Matschiner, G, Fritz, H, Sommerhoff, C.P, Bode, W.
登録日1997-12-03
公開日1999-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Human beta-tryptase is a ring-like tetramer with active sites facing a central pore.
Nature, 392, 1998
5NYG
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Anbu (Gly-1) mutant from Hyphomicrobium sp. strain MC1 - SG P2(1)2(1)2(1)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anbu
著者Vielberg, M.-T, Groll, M.
登録日2017-05-11
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献On the Trails of the Proteasome Fold: Structural and Functional Analysis of the Ancestral beta-Subunit Protein Anbu.
J. Mol. Biol., 430, 2018
1XIL
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BU of 1xil by Molmil
HYDROGEN BONDING IN HUMAN MANGANESE SUPEROXIDE DISMUTASE CONTAINING 3-FLUOROTYROSINE
分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
著者Ayala, I, Perry, J.J, Szczepanski, J, Cabelli, D.E, Tainer, J.A, Vala, M.T, Nick, H.S, Silverman, D.N.
登録日2004-09-21
公開日2005-03-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Hydrogen bonding in human manganese superoxide dismutase containing 3-fluorotyrosine
Biophys.J., 89, 2005
1RHH
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BU of 1rhh by Molmil
Crystal Structure of the Broadly HIV-1 Neutralizing Fab X5 at 1.90 Angstrom Resolution
分子名称: Fab X5, heavy chain, light chain
著者Darbha, R, Phogat, S, Labrijn, A.F, Shu, Y, Gu, Y, Andrykovitch, M, Zhang, M.Y, Pantophlet, R, Martin, L, Vita, C, Burton, D.R, Dimitrov, D.S, Ji, X.
登録日2003-11-14
公開日2004-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Broadly Cross-Reactive HIV-1-Neutralizing Fab X5 and Fine Mapping of Its Epitope
Biochemistry, 43, 2004
3GB7
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BU of 3gb7 by Molmil
Potassium Channel KcsA-Fab complex in Li+
分子名称: DIACYL GLYCEROL, NICKEL (II) ION, Voltage-gated potassium channel, ...
著者Thompson, A.N, Ilsoo, K, Panosian, T.D, Iverson, T.M, Allen, T.W, Nimigean, C.M.
登録日2009-02-18
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Mechanism of potassium-channel selectivity revealed by Na(+) and Li(+) binding sites within the KcsA pore.
Nat.Struct.Mol.Biol., 16, 2009
2C5X
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BU of 2c5x by Molmil
Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
著者Kontopidis, G, Mcinnes, C, Pandalaneni, S.R, Mcnae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
登録日2005-11-03
公開日2006-03-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
7C6B
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BU of 7c6b by Molmil
Crystal structure of Ago2 MID domain in complex with 6-(3-(2-carboxyethyl)phenyl)purine riboside monophosphate
分子名称: 3-[3-[9-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid, PHOSPHATE ION, Protein argonaute-2
著者Suzuki, M, Takahashi, Y, Saito, J, Miyagi, H, Shinohara, F.
登録日2020-05-21
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献siRNA potency enhancement via chemical modifications of nucleotide bases at the 5'-end of the siRNA guide strand.
Rna, 27, 2021
5MRG
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BU of 5mrg by Molmil
Solution structure of TDP-43 (residues 1-102)
分子名称: TAR DNA-binding protein 43
著者Mompean, M, Romano, V, Pantoja-Uceda, D, Stuani, C, Baralle, F.E, Laurents, D.V.
登録日2016-12-22
公開日2017-06-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Point mutations in the N-terminal domain of transactive response DNA-binding protein 43 kDa (TDP-43) compromise its stability, dimerization, and functions.
J. Biol. Chem., 292, 2017
7A1W
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BU of 7a1w by Molmil
KRASG12C GDP form in complex with Cpd3
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
著者Mathieu, M, Steier, V.
登録日2020-08-14
公開日2021-10-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
7A1Y
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KRASG12C GDP form in complex with Cpd2
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Mathieu, M, Steier, V.
登録日2020-08-14
公開日2021-10-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献KRAS G12C fragment screening renders new binding pockets.
Small Gtpases, 13, 2022
3DLR
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BU of 3dlr by Molmil
Crystal structure of the catalytic core domain from PFV integrase
分子名称: Integrase, MAGNESIUM ION
著者Valkov, E, Cherepanov, P.
登録日2008-06-29
公開日2008-12-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Functional and structural characterization of the integrase from the prototype foamy virus.
Nucleic Acids Res., 37, 2009
2W0H
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BU of 2w0h by Molmil
X ray structure of Leishmania infantum Trypanothione reductase in complex with antimony and NADPH
分子名称: ANTIMONY (III) ION, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Baiocco, P, Colotti, G, Franceschini, S, Ilari, A.
登録日2008-08-18
公開日2009-04-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular Basis of Antimony Treatment in Leishmaniasis.
J.Med.Chem., 52, 2009
1ZOM
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BU of 1zom by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with a peptidomimetic Inhibitor
分子名称: (S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-N-((S)-1-((S)-5-GUANIDINO-1-OXO-1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE, Coagulation factor XI, SULFATE ION
著者Lin, J, Deng, H, Jin, L, Pandey, P, Rynkiewicz, M, Bibbins, F, Cantin, S, Quinn, J, Magee, S, Gorga, J.
登録日2005-05-13
公開日2006-05-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Design, synthesis, and biological evaluation of peptidomimetic inhibitors of factor XIa as novel anticoagulants.
J.Med.Chem., 49, 2006
7C7D
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BU of 7c7d by Molmil
Crystal structure of the catalytic unit of thermostable GH87 alpha-1,3-glucanase from Streptomyces thermodiastaticus strain HF3-3
分子名称: CALCIUM ION, PENTAETHYLENE GLYCOL, alpha-1,3-glucanase
著者Itoh, T, Panti, N, Toyotake, Y, Hayashi, J, Suyotha, W, Yano, S, Wakayama, M, Hibi, T.
登録日2020-05-25
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Crystal structure of the catalytic unit of thermostable GH87 alpha-1,3-glucanase from Streptomyces thermodiastaticus strain HF3-3.
Biochem.Biophys.Res.Commun., 533, 2020
1Z2Q
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High-resolution solution structure of the LM5-1 FYVE domain from Leishmania major
分子名称: LM5-1
著者Mertens, H.D.T, Callaghan, J.M, McConville, M.J, Gooley, P.R.
登録日2005-03-08
公開日2005-04-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A high-resolution solution structure of a trypanosomatid FYVE domain.
Protein Sci., 16, 2007
1YHZ
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Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide, Chlorsulfuron
分子名称: 1-(2-CHLOROPHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-L,3,5-TRIAZIN-2-YL)UREA, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ...
著者McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G.
登録日2005-01-10
公開日2006-01-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase
Proc.Natl.Acad.Sci.Usa, 103, 2006
3FRI
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Structure of the 16S rRNA methylase RmtB, I222
分子名称: 16S rRNA methylase, S-ADENOSYL-L-HOMOCYSTEINE
著者Schmitt, E, Galimand, M, Panvert, M, Dupechez, M, Courvalin, P, Mechulam, Y.
登録日2009-01-08
公開日2009-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural bases for 16 S rRNA methylation catalyzed by ArmA and RmtB methyltransferases
J.Mol.Biol., 388, 2009

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