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PDB: 45955 件
1PE1
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BU of 1pe1 by Molmil
Aquifex aeolicus KDO8PS in complex with cadmium and 2-PGA
分子名称: 2-PHOSPHOGLYCERIC ACID, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, ...
著者Wang, J, Xu, X, Grison, C, Petek, S, Coutrot, P, Birck, M.R, Woodard, R.W, Gatti, D.L.
登録日2003-05-20
公開日2004-02-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase
DRUG DES.DISCOVERY, 18, 2003
8JHU
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BU of 8jhu by Molmil
Legionella effector protein SidI
分子名称: Legionella pneumophila effector protein SidI
著者Wang, L, Subramanian, A, Mukherjee, S, Walter, P.
登録日2023-05-25
公開日2023-08-30
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A Legionella toxin exhibits tRNA mimicry and glycosyl transferase activity to target the translation machinery and trigger a ribotoxic stress response.
Nat.Cell Biol., 25, 2023
2XUP
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BU of 2xup by Molmil
CRYSTAL STRUCTURE OF the MACHE-Y337A mutant in complex with soaked TZ2PA6 SYN inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ...
著者Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
登録日2010-10-19
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
6PPT
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BU of 6ppt by Molmil
Structural Basis for Client Recognition and Activity of Hsp40 Chaperones
分子名称: Alkaline phosphatase,Chaperone protein DnaJ 2 fusion
著者Jiang, Y, Rossi, P, Kalodimos, C.G.
登録日2019-07-08
公開日2019-09-18
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for client recognition and activity of Hsp40 chaperones.
Science, 365, 2019
2V41
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BU of 2v41 by Molmil
Crystal Structure of the C45S mutant of the Peroxiredoxin 6 of Arenicola Marina. Orthorhombic form
分子名称: BENZOIC ACID, PEROXIREDOXIN 6.
著者Smeets, A, Declercq, J.P.
登録日2007-06-27
公開日2008-04-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Crystal Structure of the C45S Mutant of Annelid Arenicola Marina Peroxiredoxin 6 Supports its Assignment to the Mechanistically Typical 2- Cys Subfamily without Any Formation of Toroid- Shaped Decamers.
Protein Sci., 17, 2008
1PG9
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BU of 1pg9 by Molmil
NMR Solution Structure of an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link in a DNA Dodecamer Duplex
分子名称: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II)
著者Wu, Y, Pradhan, P, Havener, J, Chaney, S.G, Campbel, S.L.
登録日2003-05-28
公開日2004-07-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR solution structure of an oxaliplatin 1,2-d(GG) intrastrand cross-link in a DNA dodecamer duplex
J.Mol.Biol., 341, 2004
2IZU
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BU of 2izu by Molmil
Structure of casein kinase gamma 3 in complex with inhibitor
分子名称: 1,2-ETHANEDIOL, 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, CASEIN KINASE I ISOFORM GAMMA-3, ...
著者Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S.
登録日2006-07-26
公開日2006-08-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Inhibitor Binding by Casein Kinases
To be Published
3WTB
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BU of 3wtb by Molmil
Crystal structure of Gox0525
分子名称: Putative oxidoreductase
著者Yuan, Y.A, Lin, J.P.
登録日2014-04-09
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Gox0525
To be Published
8ZHP
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BU of 8zhp by Molmil
Dimer of SARS-CoV-2 S1 in complex with H18 and R1-32 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, Heavy chain of R1-32 Fab, ...
著者Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
登録日2024-05-11
公開日2024-08-21
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
1PGY
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BU of 1pgy by Molmil
Solution structure of the UBA domain in Saccharomyces cerevisiae protein, Swa2p
分子名称: Swa2p
著者Chim, N, Gall, W.E, Xiao, J, Harris, M.P, Graham, T.R, Krezel, A.M.
登録日2003-05-28
公開日2004-03-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the ubiquitin-binding domain in Swa2p from Saccharomyces cerevisiae.
PROTEINS: STRUCT.,FUNCT.,GENET., 54, 2004
2MSR
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BU of 2msr by Molmil
Solution structure of LEDGF/p75 IBD in complex with MLL1 peptide (140-160)
分子名称: Histone-lysine N-methyltransferase 2A, PC4 and SFRS1-interacting protein
著者Cermakova, K, Tesina, P, Demeulemeester, J, El Ashkar, S, Mereau, H, Schwaller, J, Rezacova, P, Veverka, V, De Rijck, J.
登録日2014-08-05
公開日2014-08-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Validation and Structural Characterization of the LEDGF/p75-MLL Interface as a New Target for the Treatment of MLL-Dependent Leukemia.
Cancer Res., 74, 2014
4BW1
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BU of 4bw1 by Molmil
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
分子名称: 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4
著者Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
登録日2013-06-29
公開日2013-09-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
4BW3
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The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
分子名称: 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4
著者Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
登録日2013-06-29
公開日2013-09-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
7T7W
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BU of 7t7w by Molmil
The peptide Lt-MAP4 is an analog derived from the Ltc-3a. The primary sequence of the parental peptide was used as template for rational design, using the amino acid residues for modification of charge and hydrophobicity.
分子名称: Lt-MAP4 peptide
著者Freitas, C.D.P, Moraes, L.F.R.N, Migliolo, L, Liao, L.M.
登録日2021-12-15
公開日2023-01-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Two-dimensional NMR structural study of latarasin analogue Lt-MAP4 multifunctional synthetic peptide.
To Be Published
5WM2
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BU of 5wm2 by Molmil
Crystal Structure of CahJ in Complex with Salicylic Acid and AMP
分子名称: 2-HYDROXYBENZOIC ACID, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
著者Sikkema, A.P, Smith, J.L.
登録日2017-07-28
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.548 Å)
主引用文献A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018
7EW9
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BU of 7ew9 by Molmil
GDP-bound KRAS G12D in complex with TH-Z816
分子名称: 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
登録日2021-05-25
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
4BR5
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BU of 4br5 by Molmil
Rat NTPDase2 in complex with Zn AMPPNP
分子名称: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2, GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Zebisch, M, Schaefer, P, Lauble, P, Straeter, N.
登録日2013-06-04
公開日2013-07-17
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Structure, 21, 2013
5LF9
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BU of 5lf9 by Molmil
Crystal structure of human NUDT22
分子名称: Nucleoside diphosphate-linked moiety X motif 22
著者Tallant, C, Siejka, P, Mathea, S, Shrestha, L, Krojer, T, Srikannathasan, V, Elkins, J.M, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
登録日2016-06-30
公開日2017-08-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of human NUDT22
To Be Published
2VTT
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BU of 2vtt by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
7QLF
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BU of 7qlf by Molmil
Conformational ensemble of solnatide in solution
分子名称: Tumor necrosis factor
著者Macias, M.J, Martin-Malpartida, P.
登録日2021-12-20
公開日2022-06-08
実験手法SOLUTION NMR
主引用文献Conformational ensemble of the TNF-derived peptide solnatide in solution.
Comput Struct Biotechnol J, 20, 2022
1H0T
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BU of 1h0t by Molmil
An affibody in complex with a target protein: structure and coupled folding
分子名称: IMMUNOGLOBULIN G BINDING PROTEIN A, ZSPA-1 AFFIBODY
著者Wahlberg, E, Lendel, C, Helgstrand, M, Allard, P, Dincbas-Renqvist, V, Hedqvist, A, Berglund, H, Nygren, P.-A, Hard, T.
登録日2002-06-27
公開日2003-02-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An Affibody in Complex with a Target Protein: Structure and Coupled Folding
Proc.Natl.Acad.Sci.USA, 100, 2003
7EWB
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BU of 7ewb by Molmil
GDP-bound KRAS G12D in complex with TH-Z835
分子名称: 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
登録日2021-05-25
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
7EWA
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BU of 7ewa by Molmil
GDP-bound KRAS G12D in complex with TH-Z827
分子名称: 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
登録日2021-05-25
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
2VTL
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BU of 2vtl by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
分子名称: CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
8VLJ
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Crystal structure of the cacodylate-bound yeast cytosine deaminase (closed form)
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, Cytosine deaminase, ...
著者Picard, M.-E, Grenier, J, Despres, P.C, Dube, A.K, Landry, C.R, Shi, R.
登録日2024-01-11
公開日2024-08-21
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Compensatory mutations potentiate constructive neutral evolution by gene duplication
Science, 2024

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件を2024-08-21に公開中

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