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1CQR
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BU of 1cqr by Molmil
CRYSTAL STRUCTURE OF THE STROMELYSIN CATALYTIC DOMAIN AT 2.0 A RESOLUTION
分子名称: CALCIUM ION, STROMELYSIN-1, ZINC ION
著者Chen, L, Rydel, T.J, Gu, F, Dunaway, C.M, Pikul, S, Dunham, K.M, Barnett, B.L.
登録日1999-08-11
公開日2000-03-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the stromelysin catalytic domain at 2.0 A resolution: inhibitor-induced conformational changes.
J.Mol.Biol., 293, 1999
7AEH
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BU of 7aeh by Molmil
SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1
分子名称: (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
登録日2020-09-17
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
1REC
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BU of 1rec by Molmil
THREE-DIMENSIONAL STRUCTURE OF RECOVERIN, A CALCIUM SENSOR IN VISION
分子名称: CALCIUM ION, RECOVERIN
著者Flaherty, K.M, Zozulya, S, Stryer, L, Mckay, D.B.
登録日1993-10-29
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Three-Dimensional Structure of Recoverin, a Calcium Sensor in Vision
Cell(Cambridge,Mass.), 75, 1993
4TOS
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BU of 4tos by Molmil
Crystal structure of Tankyrase 1 with 355
分子名称: Tankyrase-1, ZINC ION, trans-N-benzyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexanecarboxamide
著者Chen, H, Zhang, X, Lum, l, Chen, C.
登録日2014-06-06
公開日2015-05-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
4JWN
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BU of 4jwn by Molmil
Ternary complex of D256A mutant of DNA Polymerase Beta
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Perera, L, Ping, L, Shock, D.D, Beard, W.A, Pedersen, L.C, Pedersen, L.G, Wilson, S.H.
登録日2013-03-27
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Amino Acid Substitution in the Active Site of DNA Polymerase beta Explains the Energy Barrier of the Nucleotidyl Transfer Reaction.
J.Am.Chem.Soc., 135, 2013
2BDR
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BU of 2bdr by Molmil
Crystal Structure of the Putative Ureidoglycolate hydrolase PP4288 from Pseudomonas putida, Northeast Structural Genomics Target PpR49
分子名称: SODIUM ION, Ureidoglycolate hydrolase
著者Forouhar, F, Abashidze, M, Jayaraman, S, Ho, C.K, Conover, K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2005-10-20
公開日2005-11-15
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Putative Ureidoglycolate hydrolase PP4288 from Pseudomonas putida, Northeast Structural Genomics Target PpR49
To be Published
2BJI
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BU of 2bji by Molmil
High Resolution Structure of myo-Inositol Monophosphatase, The Target of Lithium Therapy
分子名称: INOSITOL-1(OR 4)-MONOPHOSPHATASE, MAGNESIUM ION
著者Gill, R, Mohammed, F, Badyal, R, Coates, L, Erskine, P, Thompson, D, Cooper, J, Gore, M, Wood, S.
登録日2005-02-03
公開日2005-02-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献High-resolution structure of myo-inositol monophosphatase, the putative target of lithium therapy.
Acta Crystallogr. D Biol. Crystallogr., 61, 2005
2C3B
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BU of 2c3b by Molmil
The Crystal Structure of Aspergillus fumigatus Cyclophilin reveals 3D Domain Swapping of a Central Element
分子名称: PPIASE, SULFATE ION
著者Limacher, A, Kloer, D.P, Fluckiger, S, Folkers, G, Crameri, R, Scapozza, L.
登録日2005-10-05
公開日2006-01-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Crystal Structure of Aspergillus Fumigatus Cyclophilin Reveals 3D Domain Swapping of a Central Element
Structure, 14, 2006
5IJL
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BU of 5ijl by Molmil
D-family DNA polymerase - DP2 subunit (catalytic subunit)
分子名称: DNA polymerase II large subunit, ZINC ION
著者Sauguet, L, Raia, P, De Larue, M.
登録日2016-03-02
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Shared active site architecture between archaeal PolD and multi-subunit RNA polymerases revealed by X-ray crystallography.
Nat Commun, 7, 2016
4RK8
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BU of 4rk8 by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356
分子名称: 5-fluoro-2-{[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Zhu, L, Ren, X, Zhu, J, Li, H.
登録日2014-10-12
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356
TO BE PUBLISHED
5ISH
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BU of 5ish by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor SA0765
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ...
著者Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
登録日2016-03-15
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Crystal structure of mouse CARM1 in complex with inhibitor SA0765
To Be Published
4RN5
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BU of 4rn5 by Molmil
B1 domain of human Neuropilin-1 with acetate ion in a ligand-binding site
分子名称: ACETATE ION, GLYCEROL, Neuropilin-1, ...
著者Allerston, C.K, Yelland, T.S, Jarvis, A, Jenkins, K, Winfield, N, Cheng, L, Jia, H, Zachary, I, Selwood, D.L, Djordjevic, S.
登録日2014-10-23
公開日2015-10-28
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Conserved water molecules in a ligand-binding site of neuropilin-1
To be Published
5IOL
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BU of 5iol by Molmil
Crystal structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni
分子名称: Nucleoside diphosphate kinase
著者Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
登録日2016-03-08
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.741 Å)
主引用文献Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs.
Mol.Biochem.Parasitol., 2019
7AOS
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BU of 7aos by Molmil
crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator
分子名称: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, GLYCEROL, ...
著者le Maire, A, Guee, L, Bourguet, W.
登録日2020-10-15
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021
4RPI
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BU of 4rpi by Molmil
Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase from Mycobacterium tuberculosis
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, nicotinate-nucleotide adenylyltransferase
著者Rodionova, I, Zuccola, H, Sorci, L, Aleshin, A.E, Kazanov, M, Sergienko, E, Rubin, E, Locher, C, Osterman, A.
登録日2014-10-30
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.417 Å)
主引用文献Mycobacterial nicotinate mononucleotide adenylyltransferase: structure, mechanism, and implications for drug discovery.
J. Biol. Chem., 290, 2015
4RPT
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BU of 4rpt by Molmil
The 1.35A structure of a viral RNase L antagonist reveals basis for the 2'-5'-oligoadenylate binding and enzyme activity.
分子名称: 1,2-ETHANEDIOL, Capping enzyme protein, MALONATE ION
著者Hu, L, Prasad, B.V.V.
登録日2014-10-31
公開日2015-04-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural basis for 2'-5'-oligoadenylate binding and enzyme activity of a viral RNase L antagonist.
J.Virol., 89, 2015
7APO
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BU of 7apo by Molmil
Crystal structure of RARalpha ligand binding domain in complex with a fragment of the TIF2 coactivator
分子名称: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, GLYCEROL, Nuclear receptor coactivator 2, ...
著者le Maire, A, Guee, L, Bourguet, W.
登録日2020-10-19
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021
5IRE
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BU of 5ire by Molmil
The cryo-EM structure of Zika Virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein
著者Sirohi, D, Chen, Z, Sun, L, Klose, T, Pierson, T, Rossmann, M, Kuhn, R.
登録日2016-03-13
公開日2016-03-30
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献The 3.8 angstrom resolution cryo-EM structure of Zika virus.
Science, 352, 2016
5I0C
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BU of 5i0c by Molmil
Crystal structure of predicted acyltransferase YjdJ with acyl-CoA N-acyltransferase domain from Escherichia coli str. K-12
分子名称: CADMIUM ION, NICKEL (II) ION, PHOSPHATE ION, ...
著者Filippova, E.V, Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Wolfe, A.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-02-03
公開日2016-02-24
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of predicted acyltransferase YjdJ with acyl-CoA N-acyltransferase domain from Escherichia coli str. K-12
To Be Published
5ISE
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BU of 5ise by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor SA0649
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
著者Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
登録日2016-03-15
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of mouse CARM1 in complex with SAH at 1.8 Angstroms resolution
To Be Published
2BNK
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BU of 2bnk by Molmil
The structure of phage phi29 replication organizer protein p16.7
分子名称: EARLY PROTEIN GP16.7
著者Albert, A, Asensio, J.L, Munoz-Espin, D, Gonzalez, C, Hermoso, J.A, Villar, L, Jimenez-Barbero, J, Salas, M, Meijer, W.J.J.
登録日2005-03-28
公開日2005-04-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the Functional Domain of {Varphi}29 Replication Organizer: Insights Into Oligomerization and DNA Binding.
J.Biol.Chem., 280, 2005
1COB
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BU of 1cob by Molmil
CRYSTAL STRUCTURE SOLUTION AND REFINEMENT OF THE SEMISYNTHETIC COBALT SUBSTITUTED BOVINE ERYTHROCYTE ENZYME SUPEROXIDE DISMUTASE AT 2.0 ANGSTROMS RESOLUTION
分子名称: COBALT (II) ION, COPPER (II) ION, SUPEROXIDE DISMUTASE
著者Djinovic, K, Coda, A, Antolini, L, Pelosi, G, Desideri, A, Falconi, M, Rotilio, G, Bolognesi, M.
登録日1992-02-19
公開日1993-10-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure solution and refinement of the semisynthetic cobalt-substituted bovine erythrocyte superoxide dismutase at 2.0 A resolution.
J.Mol.Biol., 226, 1992
4RZG
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BU of 4rzg by Molmil
Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate
著者Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T.
登録日2014-12-21
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
7U4T
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BU of 7u4t by Molmil
Human V-ATPase in state 2 with SidK and mEAK-7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MTOR-associated protein MEAK7, ...
著者Wang, L, Fu, T.M.
登録日2022-03-01
公開日2022-08-24
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Identification of mEAK-7 as a human V-ATPase regulator via cryo-EM data mining.
Proc.Natl.Acad.Sci.USA, 119, 2022
4WIM
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BU of 4wim by Molmil
Crystal Structure of the GMP Synthetase from Plasmodium falciparum
分子名称: GMP synthetase
著者Ballut, L, Violot, S, Haser, R, Aghajari, N.
登録日2014-09-26
公開日2015-12-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Active site coupling in Plasmodium falciparum GMP synthetase is triggered by domain rotation.
Nat Commun, 6, 2015

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