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4ASK
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BU of 4ask by Molmil
CRYSTAL STRUCTURE OF JMJD3 WITH GSK-J1
分子名称: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
著者Chung, C, Mosley, J, Liddle, J.
登録日2012-05-01
公開日2012-07-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
1IFM
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BU of 1ifm by Molmil
TWO FORMS OF PF1 INOVIRUS: X-RAY DIFFRACTION STUDIES ON A STRUCTURAL PHASE TRANSITION AND A CALCULATED LIBRATION NORMAL MODE OF THE ASYMMETRIC UNIT
分子名称: INOVIRUS
著者Marvin, D.A.
登録日1994-01-31
公開日1994-07-31
最終更新日2024-02-07
実験手法FIBER DIFFRACTION (3.3 Å)
主引用文献Two Forms of Pf1 Inovirus: X-Ray Diffraction Studies on a Structural Phase Transition and a Calculated Libration Normal Mode of the Asymmetric Unit
Phase Transitions, 39, 1992
1IFN
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BU of 1ifn by Molmil
TWO FORMS OF PF1 INOVIRUS: X-RAY DIFFRACTION STUDIES ON A STRUCTURAL PHASE TRANSITION AND A CALCULATED LIBRATION NORMAL MODE OF THE ASYMMETRIC UNIT
分子名称: INOVIRUS
著者Marvin, D.A.
登録日1994-01-31
公開日1994-07-31
最終更新日2024-02-07
実験手法FIBER DIFFRACTION (4 Å)
主引用文献Two Forms of Pf1 Inovirus: X-Ray Diffraction Studies on a Structural Phase Transition and a Calculated Libration Normal Mode of the Asymmetric Unit
Phase Transitions, 39, 1992
2MPG
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BU of 2mpg by Molmil
Solution structure of the [AibB8,LysB28,ProB29]-insulin analogue
分子名称: Insulin A chain, Insulin B chain
著者Kosinova, L, Jiracek, J, Zakova, L, Veverka, V.
登録日2014-05-17
公開日2014-06-11
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Insight into the structural and biological relevance of the T/R transition of the N-terminus of the B-chain in human insulin.
Biochemistry, 53, 2014
4F8C
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BU of 4f8c by Molmil
Structure of the Cif:Nedd8 complex - Yersinia pseudotuberculosis Cycle Inhibiting Factor in complex with human Nedd8
分子名称: 1,2-ETHANEDIOL, Cycle Inhibiting Factor, NEDD8
著者Crow, A, Banfield, M.
登録日2012-05-17
公開日2012-06-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The molecular basis of Nedd8 deamidation by the bacterial effector protein Cif
Proc.Natl.Acad.Sci.USA, 2012
6ES8
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BU of 6es8 by Molmil
HIV capsid hexamer with IP6 ligand
分子名称: Gag protein, INOSITOL HEXAKISPHOSPHATE
著者James, L.C.
登録日2017-10-19
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis.
Elife, 7, 2018
6FDG
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BU of 6fdg by Molmil
Novel crystal structure of DHNA-CoA Thioesterase from Staphylococcus aureus
分子名称: 4-hydroxybenzoyl-CoA thioesterase
著者Murad, A.M, Betzel, C, Wrenger, C.
登録日2017-12-22
公開日2018-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Novel crystal structure of DHNA-CoA Thioesterase from Staphylococcus aureus
To Be Published
6EZ6
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BU of 6ez6 by Molmil
PI3 kinase delta in complex with Methyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate
著者Convery, M.A, Campos, S, Dalton, S.E.
登録日2017-11-14
公開日2017-12-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition.
J. Am. Chem. Soc., 140, 2018
6EYZ
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BU of 6eyz by Molmil
PI3 kinase delta in complex with 4-Fluorophenyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate
分子名称: 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Convery, M.A, Campos, S, Dalton, S.E.
登録日2017-11-13
公開日2017-12-20
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition.
J. Am. Chem. Soc., 140, 2018
7Q3U
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BU of 7q3u by Molmil
Cryo-EM structure of TDP43 core peptide amyloid fiber
分子名称: TAR DNA-binding protein 43
著者Nazarov, S.
登録日2021-10-28
公開日2023-03-22
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Seeding the aggregation of TDP-43 requires post-fibrillization proteolytic cleavage.
Nat.Neurosci., 26, 2023
8PF2
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BU of 8pf2 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK16
分子名称: Chemotaxis protein CheA, RESORCINOL
著者Adhav, A, Marina, A.
登録日2023-06-15
公開日2024-06-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Repurposing Hsp90 inhibitors as antimicrobials targeting two-component systems identifies compounds leading to loss of bacterial membrane integrity.
Microbiol Spectr, 2024
5V6M
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BU of 5v6m by Molmil
Crystal Structure of Rabbit Anti-HIV-1 gp120 V3 Fab 10A3 in complex with V3 peptide ConB
分子名称: CALCIUM ION, Envelope glycoprotein gp120 V3 peptide of Con B sequence, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V3 mAb 10A3, ...
著者Pan, R, Kong, X.-P.
登録日2017-03-17
公開日2018-01-17
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Increased epitope complexity correlated with antibody affinity maturation and a novel binding mode revealed by structures of rabbit antibodies against the third variable loop (V3) of HIV-1 gp120.
J. Virol., 2018
3FRB
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BU of 3frb by Molmil
S. aureus F98Y DHFR complexed with TMP
分子名称: Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
著者Oefner, C, Dale-Glenn, E.
登録日2009-01-08
公開日2010-01-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
3FRE
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BU of 3fre by Molmil
S. aureus DHFR complexed with NADPH and TMP
分子名称: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
著者Oefner, C, Dale-Glenn, E.
登録日2009-01-08
公開日2010-01-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
3FRF
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BU of 3frf by Molmil
S. aureus DHFR complexed with NADPH and iclaprim
分子名称: 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Oefner, C, Dale-Glenn, E.
登録日2009-01-08
公開日2010-01-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
3FRD
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BU of 3frd by Molmil
S. aureus DHFR complexed with NADPH and folate
分子名称: DIHYDROFOLIC ACID, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Oefner, C, Dale-Glenn, E.
登録日2009-01-08
公開日2010-01-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
3FRA
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BU of 3fra by Molmil
Staphylococcus aureus F98Y DHFR complexed with iclaprim
分子名称: 5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Oefner, C, Dale-Glenn, E.
登録日2009-01-08
公開日2010-01-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
4L7V
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BU of 4l7v by Molmil
Crystal structure of Protein L-isoaspartyl-O-methyltransferase of Vibrio cholerae
分子名称: ACETATE ION, CALCIUM ION, Protein-L-isoaspartate O-methyltransferase, ...
著者Chatterjee, T, Mukherjee, D, Chakrabarti, P.
登録日2013-06-14
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure and activity of protein L-isoaspartyl-O-methyltransferase from Vibrio cholerae, and the effect of AdoHcy binding.
Arch.Biochem.Biophys., 583, 2015
6H09
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BU of 6h09 by Molmil
HIV capsid hexamer with IP6 ligand
分子名称: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
著者James, L.C.
登録日2018-07-06
公開日2018-08-15
最終更新日2020-10-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis.
Elife, 7, 2018
4DTG
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BU of 4dtg by Molmil
Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Humanized recombinant FAB fragment, ...
著者Svensson, L.A, Breinholt, J, Krogh, B.O, Hilden, I.
登録日2012-02-21
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model.
Blood, 119, 2012
6HAR
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BU of 6har by Molmil
Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C
分子名称: 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ...
著者Shahar, A, Cohen, I, Radisky, E, Papo, N.
登録日2018-08-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J.Biol.Chem., 294, 2019
2PT3
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BU of 2pt3 by Molmil
Crystal structure of bovine lactoperoxidase at 2.34 A resolution reveals multiple anion binding sites
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ...
著者Singh, A.K, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P.
登録日2007-05-08
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of bovine lactoperoxidase at 2.34 A resolution reveals multiple anion binding sites
To be Published
1S6B
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BU of 1s6b by Molmil
X-ray Crystal Structure of a Complex Formed Between Two Homologous Isoforms of Phospholipase A2 from Naja naja sagittifera: Principle of Molecular Association and Inactivation
分子名称: ACETIC ACID, CALCIUM ION, PHOSPHATE ION, ...
著者Jabeen, T, Sharma, S, Singh, R.K, Kaur, P, Singh, T.P.
登録日2004-01-23
公開日2004-02-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of a calcium-induced dimer of two isoforms of cobra phospholipase A2 at 1.6 A resolution.
Proteins, 59, 2005
2PYC
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BU of 2pyc by Molmil
Crystal structure of a monomeric phospholipase A2 from Russell's viper at 1.5A resolution
分子名称: ACETATE ION, ACETONITRILE, Phospholipase A2 VRV-PL-VIIIa, ...
著者Kumar, S, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P.
登録日2007-05-16
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of a monomeric phospholipase A2 from Russell's viper at 1.5A resolution
To be Published
1OXG
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BU of 1oxg by Molmil
Crystal structure of a complex formed between organic solvent treated bovine alpha-chymotrypsin and its autocatalytically produced highly potent 14-residue peptide at 2.2 resolution
分子名称: Chymotrypsinogen A, SULFATE ION
著者Singh, N, Jabeen, T, Sharma, S, Roy, I, Gupta, M.N, Bilgrami, S, Singh, T.P.
登録日2003-04-02
公開日2004-05-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Detection of native peptides as potent inhibitors of enzymes. Crystal structure of the complex formed between treated bovine alpha-chymotrypsin and an autocatalytically produced fragment, IIe-Val-Asn-Gly-Glu-Glu-Ala-Val-Pro-Gly-Ser-Trp-Pro-Trp, at 2.2 angstroms resolution.
Febs J., 272, 2005

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