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6ZEW
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BU of 6zew by Molmil
Keap1 kelch domain bound to a small molecule fragment
分子名称: 7-methoxy-1~{H}-benzotriazole, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF4
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BU of 6zf4 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
1KQH
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BU of 1kqh by Molmil
NMR Solution Structure of the cis Pro30 Isomer of ACTX-Hi:OB4219
分子名称: ACTX-Hi:OB4219
著者Rosengren, K.J, Wilson, D, Daly, N.L, Alewood, P.F, Craik, D.J.
登録日2002-01-05
公開日2002-02-06
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structures of the cis- and trans-Pro30 isomers of a novel 38-residue toxin from the venom of Hadronyche Infensa sp. that contains a cystine-knot motif within its four disulfide bonds
Biochemistry, 41, 2002
1KQI
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BU of 1kqi by Molmil
NMR Solution Structure of the trans Pro30 Isomer of ACTX-Hi:OB4219
分子名称: ACTX-Hi:OB4219
著者Rosengren, K.J, Wilson, D, Daly, N.L, Alewood, P.F, Craik, D.J.
登録日2002-01-06
公開日2002-02-06
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structures of the cis- and trans-Pro30 isomers of a novel 38-residue toxin from the venom of Hadronyche Infensa sp. that contains a cystine-knot motif within its four disulfide bonds
Biochemistry, 41, 2002
6ZF7
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BU of 6zf7 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF0
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BU of 6zf0 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
5CAW
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BU of 5caw by Molmil
Structure of Pediculus humanus Parkin bound to phospho-ubiquitin
分子名称: E3 ubiquitin-protein ligase parkin, Polyubiquitin-B, SULFATE ION, ...
著者Wauer, T, Komander, D.
登録日2015-06-30
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Mechanism of phospho-ubiquitin-induced PARKIN activation.
Nature, 524, 2015
5CBW
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BU of 5cbw by Molmil
Human Cyclophilin D Complexed with Inhibitor.
分子名称: FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-01
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor.
To Be Published
6JLI
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BU of 6jli by Molmil
Crystal structure of CTLD7 domain of human PLA2R
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Secretory phospholipase A2 receptor
著者Yu, B, Hu, Z, Kong, D, Cheng, C, He, Y.
登録日2019-03-06
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.778 Å)
主引用文献Crystal structure of the CTLD7 domain of human M-type phospholipase A2 receptor.
J.Struct.Biol., 207, 2019
6ZD2
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BU of 6zd2 by Molmil
Structure of apo telomerase from Candida Tropicalis truncated from C-terminal domain
分子名称: SODIUM ION, Telomerase reverse transcriptase
著者Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
登録日2020-06-13
公開日2021-04-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
5CFU
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BU of 5cfu by Molmil
Crystal Structure of ANT(2")-Ia in complex with adenylyl-2"-tobramycin
分子名称: 1,4-BUTANEDIOL, Aminoglycoside Nucleotidyltransferase (2")-Ia, MANGANESE (II) ION, ...
著者Rodionov, D, Bassenden, A.V, Berghuis, A.M.
登録日2015-07-08
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Revisiting the Catalytic Cycle and Kinetic Mechanism of AminoglycosideO-Nucleotidyltransferase(2′′): A Structural and Kinetic Study.
Acs Chem.Biol., 2020
6JKH
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BU of 6jkh by Molmil
The NAD+-bound form of human NSDHL
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating
著者Kim, D, Lee, S.J, Lee, B.
登録日2019-02-28
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of human NSDHL and development of its novel inhibitor with the potential to suppress EGFR activity.
Cell.Mol.Life Sci., 78, 2021
6ZDQ
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BU of 6zdq by Molmil
Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA
分子名称: RNA, Telomerase reverse transcriptase
著者Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
登録日2020-06-15
公開日2021-04-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
1K21
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BU of 1k21 by Molmil
HUMAN THROMBIN-INHIBITOR COMPLEX
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ...
著者Stubbs, M.T, Musil, D.
登録日2001-09-26
公開日2002-05-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
6ZD1
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BU of 6zd1 by Molmil
Structure of apo telomerase from Candida Tropicalis
分子名称: Telomerase reverse transcriptase
著者Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
登録日2020-06-13
公開日2021-04-28
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZDU
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BU of 6zdu by Molmil
Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA
分子名称: Chains: C,D, Telomerase reverse transcriptase
著者Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
登録日2020-06-15
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZD6
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BU of 6zd6 by Molmil
Structure of apo telomerase from Candida Tropicalis
分子名称: Telomerase reverse transcriptase
著者Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
登録日2020-06-13
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6JM4
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BU of 6jm4 by Molmil
The crystal structure of PB1 homo-dimer of human P62/SQSTM1
分子名称: Sequestosome-1
著者Shin, H.C, Lim, D, Kim, S.J.
登録日2019-03-07
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.20014834 Å)
主引用文献Oligomer Model of PB1 Domain of p62/SQSTM1 Based on Crystal Structure of Homo-Dimer and Calculation of Helical Characteristics.
Mol.Cells, 42, 2019
1JU6
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BU of 1ju6 by Molmil
Human Thymidylate Synthase Complex with dUMP and LY231514, A Pyrrolo(2,3-d)pyrimidine-based Antifolate
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PHOSPHATE ION, ...
著者Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
登録日2001-08-23
公開日2001-09-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
6ZDP
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BU of 6zdp by Molmil
Structure of telomerase from Candida Tropicalis in complexe with TWJ fragment of telomeric RNA
分子名称: Chains: B, POTASSIUM ION, Telomerase reverse transcriptase
著者Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
登録日2020-06-15
公開日2021-04-28
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
1JTU
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BU of 1jtu by Molmil
E. coli Thymidylate Synthase in a Complex with dUMP and LY338913, A Polyglutamylated Pyrrolo(2,3-d)pyrimidine-based Antifolate
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE
著者Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M.
登録日2001-08-22
公開日2001-09-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
4N4Z
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BU of 4n4z by Molmil
Trypanosoma brucei procathepsin B structure solved by Serial Microcrystallography using synchrotron radiation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Gati, C, Bourenkov, G, Klinge, M, Rehders, D, Stellato, F, Oberthuer, D, White, T.A, Yevanov, O, Sommer, B.P, Mogk, S, Duszenko, M, Betzel, C, Schneider, T.R, Chapman, H.N, Redecke, L.
登録日2013-10-08
公開日2014-02-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Serial crystallography on in vivo grown microcrystals using synchrotron radiation.
IUCrJ, 1, 2014
6YX8
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BU of 6yx8 by Molmil
The structure of allophycocyanin from cyanobacterium Nostoc sp. WR13, the C2221 crystal form.
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
著者Patel, H.M, Roszak, A.W, Madamwar, D, Cogdell, R.J.
登録日2020-04-30
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.831 Å)
主引用文献The high resolution structure of allophycocyanin from cyanobacterium Nostoc sp. WR13
To Be Published
4GH4
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BU of 4gh4 by Molmil
Crystal Structure of Foot and Mouth Disease Virus A22 Serotype
分子名称: capsid protein VP1, capsid protein VP2, capsid protein VP3, ...
著者Kotecha, A, Jinshan, R, Curry, S, Fry, E, Stuart, D.
登録日2012-08-07
公開日2013-02-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Perturbations in the surface structure of A22 Iraq foot-and-mouth disease virus accompanying coupled changes in host cell specificity and antigenicity.
Structure, 4, 1996
5BPW
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BU of 5bpw by Molmil
Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain
分子名称: Anaphase-promoting complex subunit 4
著者Kulkarni, K, Yang, J, Zhang, Z, Barford, D.
登録日2015-05-28
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain.
J.Mol.Biol., 427, 2015

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