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7AOS
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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
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
7CKA
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BU of 7cka by Molmil
The structure of Glycine max (Soybean) Heme oxygenase 1
分子名称: CITRIC ACID, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Tohda, R, Tanaka, H, Kurisu, G.
登録日2020-07-16
公開日2020-12-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Crystal structure of higher plant heme oxygenase-1 and its mechanism of interaction with ferredoxin.
J.Biol.Chem., 296, 2020
6OFG
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BU of 6ofg by Molmil
In vitro polymerized PrgI V67A filaments
分子名称: Protein PrgI
著者Guo, E.Z, Galan, J.E.
登録日2019-03-29
公開日2019-07-10
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献A polymorphic helix of a Salmonella needle protein relays signals defining distinct steps in type III secretion.
Plos Biol., 17, 2019
4BMJ
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BU of 4bmj by Molmil
Structure of the UBZ1and2 tandem of the ubiquitin-binding adaptor protein TAX1BP1
分子名称: CHLORIDE ION, TAX1-BINDING PROTEIN 1, ZINC ION
著者Ceregido, M.A, Spinola-Amilibia, M, Buts, L, Rivera, J, Bravo, J, van Nuland, N.A.J.
登録日2013-05-09
公開日2013-11-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The Structure of Tax1BP1 Ubz1 + 2 Provides Insight Into Target Specificity and Adaptability
J.Mol.Biol., 426, 2014
1HD7
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BU of 1hd7 by Molmil
A Second Divalent Metal Ion in the Active Site of a New Crystal Form of Human Apurinic/Apyridinimic Endonuclease, Ape1, and its Implications for the Catalytic Mechanism
分子名称: DNA-(APURINIC OR APYRIMIDINIC SITE) LYASE, LEAD (II) ION
著者Beernink, P.T, Segelke, B.W, Rupp, B.
登録日2000-11-09
公開日2001-02-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Two Divalent Metal Ions in the Active Site of a New Crystal Form of Human Apurinic/Apyrimidinic Endonuclease, Ape1: Implications for the Catalytic Mechanism
J.Mol.Biol., 307, 2001
6OFH
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BU of 6ofh by Molmil
Structure of Salmonella type III secretion system needle filament
分子名称: Protein PrgI
著者Guo, E.Z, Galan, J.E.
登録日2019-03-29
公開日2019-07-10
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A polymorphic helix of a Salmonella needle protein relays signals defining distinct steps in type III secretion.
Plos Biol., 17, 2019
5LAB
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BU of 5lab by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH
分子名称: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
著者Ravera, E, Calderone, V, Luchinat, C.
登録日2016-06-14
公開日2016-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献First-principles calculation of pseudo-contact shifts in a paramagnetic metalloprotein
To Be Published
4FXH
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BU of 4fxh by Molmil
Crystal structure of the isolated E. coli RelE toxin, P212121 form
分子名称: SULFATE ION, mRNA interferase RelE
著者Brodersen, D.E, Boggild, A, Sofos, N.
登録日2012-07-03
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of the intact E. coli RelBE toxin-antitoxin complex provides the structural basis for conditional cooperativity.
Structure, 20, 2012
4LUO
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BU of 4luo by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejniczak, E.T, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-25
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
5I5X
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BU of 5i5x by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.65A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIAZOLE COMPOUND AND PMP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide, ...
著者Somers, D.O.
登録日2016-02-15
公開日2016-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
6OFF
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BU of 6off by Molmil
High-resolution filamentous structures of in vitro polymerized PrgI needle
分子名称: Protein PrgI
著者Guo, E.Z, Galan, J.E.
登録日2019-03-29
公開日2019-07-10
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A polymorphic helix of a Salmonella needle protein relays signals defining distinct steps in type III secretion.
Plos Biol., 17, 2019
4LW1
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BU of 4lw1 by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-26
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4LWC
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BU of 4lwc by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-26
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
5IA2
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BU of 5ia2 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with compound 66
分子名称: 1,2-ETHANEDIOL, 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, Ephrin type-A receptor 2
著者Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2016-02-21
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.619 Å)
主引用文献Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
4LUP
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BU of 4lup by Molmil
Crystal structure of the complex formed by region of E. coli sigmaE bound to its -10 element non template strand
分子名称: 1,2-ETHANEDIOL, RNA polymerase sigma factor, region 2 of sigmaE of E. coli
著者Campagne, S, Marsh, M.E, Vorholt, J.A.V, Allain, F.H.-T, Capitani, G.
登録日2013-07-25
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis for -10 promoter element melting by environmentally induced sigma factors.
Nat.Struct.Mol.Biol., 21, 2014
4LUZ
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BU of 4luz by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-25
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
5I5W
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BU of 5i5w by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIARYL AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, mitochondrial, ...
著者Somers, D.O.
登録日2016-02-15
公開日2016-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
6ONI
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BU of 6oni by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with N-CoR peptide and inverse agonist T0070907
分子名称: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, NCOR isoform c, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2019-04-22
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
4MN3
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BU of 4mn3 by Molmil
Chromodomain antagonists that target the polycomb-group methyllysine reader protein Chromobox homolog 7 (CBX7)
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Chromobox protein homolog 7, ...
著者Chakravarthi, S, Daze, K, Douglas, S, Quon, T, Dev, A, Peng, F, Heller, M, Boulanger, M.J, Wulff, J, Hof, F.
登録日2013-09-09
公開日2014-04-02
最終更新日2014-10-08
実験手法X-RAY DIFFRACTION (1.542 Å)
主引用文献Chromodomain Antagonists That Target the Polycomb-Group Methyllysine Reader Protein Chromobox Homolog 7 (CBX7).
J.Med.Chem., 57, 2014
4MO2
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Crystal Structure of UDP-N-acetylgalactopyranose mutase from Campylobacter jejuni
分子名称: AMMONIUM ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Dalrymple, S.A, Protsko, C, Poulin, M.B, Lowary, T.L, Sanders, D.A.R.
登録日2013-09-11
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Specificity of a UDP-GalNAc Pyranose-Furanose Mutase: A Potential Therapeutic Target for Campylobacter jejuni Infections.
Chembiochem, 15, 2014
4MQV
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BU of 4mqv by Molmil
Crystal complex of Rpa32c and Smarcal1 N-terminus
分子名称: Replication protein A 32 kDa subunit, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A-like protein 1
著者Xie, S, Qian, C.M.
登録日2013-09-16
公開日2014-07-02
最終更新日2014-12-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of RPA32 bound to the N-terminus of SMARCAL1 redefines the binding interface between RPA32 and its interacting proteins
Febs J., 281, 2014
4L1L
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BU of 4l1l by Molmil
Rat PKC C2 domain bound to CD
分子名称: CADMIUM ION, Protein kinase C alpha type, SULFATE ION
著者Morales, K.M, Yang, Y, Long, Z, Li, P, Taylor, A.B, Hart, P.J, Igumenova, T.I.
登録日2013-06-03
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Cd(2+) as a ca(2+) surrogate in protein-membrane interactions: isostructural but not isofunctional.
J.Am.Chem.Soc., 135, 2013
4L9M
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Autoinhibited state of the Ras-specific exchange factor RasGRP1
分子名称: CITRIC ACID, GLYCEROL, RAS guanyl-releasing protein 1, ...
著者Iwig, J.S, Vercoulen, Y, Das, R, Barros, T, Limnander, A, Che, Y, Pelton, J.G, Wemmer, D.E, Roose, J.P, Kuriyan, J.
登録日2013-06-18
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural analysis of autoinhibition in the Ras-specific exchange factor RasGRP1.
Elife, 2, 2013
4LBT
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BU of 4lbt by Molmil
Endothiapepsin in complex with 100mM acylhydrazone inhibitor
分子名称: (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Radeva, N, Heine, A, Winquist, J, Klebe, G.
登録日2013-06-21
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.251 Å)
主引用文献Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014

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