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1O0O
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BU of 1o0o by Molmil
Ribonuclease A in complex with adenosine-2',5'-diphosphate
分子名称: ADENOSINE-2'-5'-DIPHOSPHATE, Ribonuclease pancreatic
著者Leonidas, D.D, Oikonomakos, N.G, Chrysina, E.D, Kosmopoulou, M.N, Vlassi, M.
登録日2003-02-24
公開日2003-12-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High-resolution crystal structures of ribonuclease A complexed with adenylic and uridylic nucleotide inhibitors. Implications for structure-based design of ribonucleolytic inhibitors
PROTEIN SCI., 12, 2003
7PP3
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BU of 7pp3 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY)
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Esterase, ...
著者Cea-Rama, I, Sanz-Aparicio, J.
登録日2021-09-13
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope.
Febs J., 289, 2022
7PP8
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BU of 7pp8 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH7 FROM METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE
分子名称: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ...
著者Cea-Rama, I, Sanz-Aparicio, J.
登録日2021-09-13
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope.
Febs J., 289, 2022
4AWI
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BU of 4awi by Molmil
Human Jnk1alpha kinase with 4-phenyl-7-azaindole IKK2 inhibitor.
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 8, N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide, SULFATE ION
著者Chung, C, Vicentini, G, Liddle, J, Bamborough, P.
登録日2012-06-03
公開日2013-05-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献4-Phenyl-7-Azaindoles as Potent, Selective and Bioavailable Ikk2 Inhibitors Demonstrating Good in Vivo Efficacy.
Bioorg.Med.Chem.Lett., 22, 2012
5HUZ
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BU of 5huz by Molmil
Solution structure of coiled coil domain of myosin binding subunit of myosin light chain phosphatase
分子名称: Protein phosphatase 1 regulatory subunit 12A
著者Sharma, A.K, Birrane, G, Anklin, C, Rigby, A.C, Pollak, M, Alper, S.L.
登録日2016-01-27
公開日2016-03-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献To be published
To Be Published
4ZEQ
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BU of 4zeq by Molmil
Crystal Structure of human BFL-1 in complex with tBid BH3 peptide, Northeast Structural Genomics Consortium Target HX9247
分子名称: BH3-interacting domain death agonist, Bcl-2-related protein A1
著者Guan, R, Xiao, R, Mao, L, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2015-04-20
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of human BFL-1 in complex with tBid BH3 peptide
To Be Published
7RNY
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BU of 7rny by Molmil
Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative
分子名称: 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J, McKenna, R.
登録日2021-07-30
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
7RNZ
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BU of 7rnz by Molmil
Carbonic Anhydrase II in complex with 4-ureido benzenesulfonamide derivative
分子名称: 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide, AZIDE ION, Carbonic anhydrase 2, ...
著者Combs, J, McKenna, R.
登録日2021-07-30
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
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
5JCZ
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BU of 5jcz by Molmil
Rab11 bound to MyoVa-GTD
分子名称: 1,2-ETHANEDIOL, ACETATE ION, BERYLLIUM TRIFLUORIDE ION, ...
著者Pylypenko, O, Attanda, W, Gauquelin, C, Malherbes, G, Houdusse, A.
登録日2016-04-15
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.056 Å)
主引用文献Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes.
Elife, 5, 2016
6SXP
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BU of 6sxp by Molmil
STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY)
分子名称: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL
著者Cea-Rama, I, Sanz-Aparicio, J.
登録日2019-09-26
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Tuning the Properties of Natural Promiscuous Enzymes by Engineering Their Nano-environment.
Acs Nano, 14, 2020
7VKU
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BU of 7vku by Molmil
Cryo-EM structure of SAM-Tom40 intermediate complex
分子名称: Mitochondrial import receptor subunit TOM40, Sorting assembly machinery 35 kDa subunit, Sorting assembly machinery 37 kDa subunit, ...
著者Takeda, H, Tsutsumi, A, Kikkawa, M, Endo, T.
登録日2021-10-01
公開日2023-01-04
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Author Correction: A multipoint guidance mechanism for beta-barrel folding on the SAM complex.
Nat.Struct.Mol.Biol., 30, 2023
5CSW
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BU of 5csw by Molmil
B-RAF in complex with Dabrafenib
分子名称: CHLORIDE ION, Dabrafenib, Serine/threonine-protein kinase B-raf
著者Bader, G, Stadtmuller, H, Steurer, S.
登録日2015-07-23
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献A Novel RAF Kinase Inhibitor with DFG-Out-Binding Mode: High Efficacy in BRAF-Mutant Tumor Xenograft Models in the Absence of Normal Tissue Hyperproliferation.
Mol.Cancer Ther., 15, 2016
5CSX
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BU of 5csx by Molmil
CRYSTAL STRUCTURE OF B-RAF IN COMPLEX WITH BI 882370
分子名称: N-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf, alpha-D-glucopyranose
著者Bader, G, Stadtmuller, H, Steurer, S.
登録日2015-07-23
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献A Novel RAF Kinase Inhibitor with DFG-Out-Binding Mode: High Efficacy in BRAF-Mutant Tumor Xenograft Models in the Absence of Normal Tissue Hyperproliferation.
Mol.Cancer Ther., 15, 2016
7BTX
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BU of 7btx by Molmil
The mitochondrial SAM-Mdm10 supercomplex in GDN micelle from S.cere
分子名称: MDM10 isoform 1, Mitochondrial outer membrane beta-barrel protein, Sorting assembly machinery 35 kDa subunit, ...
著者Takeda, H, Tsutsumi, A, Nishizawa, T, Nureki, O, Kikkawa, M, Endo, T.
登録日2020-04-03
公開日2021-01-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mitochondrial sorting and assembly machinery operates by beta-barrel switching.
Nature, 590, 2021
7BTY
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BU of 7bty by Molmil
The mitochondrial SAM-Mdm10 supercomplex in Nanodisc from S.cere
分子名称: MDM10 isoform 1, Mitochondrial outer membrane beta-barrel protein, Sorting assembly machinery 35 kDa subunit, ...
著者Takeda, H, Tsutsumi, A, Nishizawa, T, Nureki, O, Kikkawa, M, Endo, T.
登録日2020-04-03
公開日2021-01-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mitochondrial sorting and assembly machinery operates by beta-barrel switching.
Nature, 590, 2021
2XUE
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BU of 2xue by Molmil
CRYSTAL STRUCTURE OF JMJD3
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
著者Chung, C, Rowland, P, Mosley, J, Thomas, P.J.
登録日2010-10-19
公開日2011-12-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
4IUM
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BU of 4ium by Molmil
Equine arteritis virus papain-like protease 2 (PLP2) covalently bound to ubiquitin
分子名称: GLYCEROL, Ubiquitin, ZINC ION, ...
著者Bailey-Elkin, B.A, James, T.W, Mark, B.L.
登録日2013-01-21
公開日2013-02-13
最終更新日2013-03-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Deubiquitinase function of arterivirus papain-like protease 2 suppresses the innate immune response in infected host cells.
Proc.Natl.Acad.Sci.USA, 110, 2013
8QEY
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BU of 8qey by Molmil
Structure of human Asc1/CD98hc heteromeric amino acid transporter
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ...
著者Martinez-Molledo, M, Rullo-Tubau, J, Errasti-Murugarren, E, Palacin, M, Llorca, O.
登録日2023-09-01
公開日2024-04-10
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure and mechanisms of transport of human Asc1/CD98hc amino acid transporter.
Nat Commun, 15, 2024
1TQX
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BU of 1tqx by Molmil
Crystal Structure of Pfal009167 A Putative D-Ribulose 5-Phosphate 3-Epimerase from P.falciparum
分子名称: D-ribulose-5-phosphate 3-epimerase, putative, SULFATE ION, ...
著者Caruthers, J, Bosch, J, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2004-06-18
公開日2004-12-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a ribulose 5-phosphate 3-epimerase from Plasmodium falciparum.
Proteins, 62, 2006
4EYU
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BU of 4eyu by Molmil
The free structure of the mouse C-terminal domain of KDM6B
分子名称: Lysine-specific demethylase 6B, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Cheng, Z.J, Patel, D.J.
登録日2012-05-01
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Nature, 488, 2012
7EKB
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BU of 7ekb by Molmil
Crystal structure of 4E10 modified with pyrene acetamide
分子名称: ACETATE ION, Fab region of the heavy chain of broadly neutralizing antibody anti-HIV-1 4E10, Fab region of the light chain of the broadly neutralizing anti-HIV-1 antibody 4E10, ...
著者Caaveiro, J.M.M, Rujas, E, Nieva, J.L.
登録日2021-04-05
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile.
Iscience, 24, 2021
7EKK
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BU of 7ekk by Molmil
Anti-HIV-1 broadly neutralizing antibody delta-loop 4E10 modified with pyrene acetamide
分子名称: AMMONIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Caaveiro, J.M.M, Rujas, E, Nieva, J.L.
登録日2021-04-05
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile.
Iscience, 24, 2021
2A0M
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BU of 2a0m by Molmil
Arginase superfamily protein from Trypanosoma cruzi
分子名称: ARGINASE SUPERFAMILY PROTEIN, CHLORIDE ION
著者Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2005-06-16
公開日2005-07-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Structural genomics of pathogenic protozoa: an overview.
Methods Mol.Biol., 426, 2008
5OGB
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BU of 5ogb by Molmil
Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC360.
分子名称: 4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2
著者Chisholm, D, Tomlinson, C, Whiting, A, Pohl, E.
登録日2017-07-12
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fluorescent Retinoic Acid Analogues as Probes for Biochemical and Intracellular Characterization of Retinoid Signaling Pathways.
Acs Chem.Biol., 14, 2019

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