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4HBX
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BU of 4hbx by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand
分子名称: 3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-09-28
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
1F76
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ESCHERICHIA COLI DIHYDROOROTATE DEHYDROGENASE
分子名称: Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, FORMIC ACID, ...
著者Norager, S, Jensen, K.F, Bjornberg, O, Larsen, S.
登録日2000-06-26
公開日2002-10-16
最終更新日2014-03-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献E. coli Dihydroorotate Dehydrogenase Reveals Structural and Functional Distinction between different classes of dihydroorotate dehydrogenases
Structure, 10, 2002
4HBV
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BU of 4hbv by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand
分子名称: 1,2-ETHANEDIOL, 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-09-28
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
4GPJ
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BU of 4gpj by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand
分子名称: (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Heightman, T.D, Brennan, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-08-21
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains.
Medchemcomm, 4, 2013
4HBW
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BU of 4hbw by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazoline ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, ...
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-09-28
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
4HBY
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BU of 4hby by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand
分子名称: 1,2-ETHANEDIOL, 3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-09-28
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
8B0V
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BU of 8b0v by Molmil
Crystal structure of C-terminal domain of Pseudomonas aeruginosa LexA G91D mutant
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Vascon, F, De Felice, S, Chinellato, M, Maso, L, Cendron, L.
登録日2022-09-08
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural investigations on the SOS response in Pseudomonas aeruginosa
To Be Published
1GZ7
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BU of 1gz7 by Molmil
Crystal structure of the closed state of lipase 2 from Candida rugosa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LIPASE 2
著者Mancheno, J.M, Hermoso, J.A.
登録日2002-05-17
公開日2003-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Insights Into the Lipase/Esterase Behavior in the Candida Rugosa Lipases Family: Crystal Structure of the Lipase 2 Isoenzyme at 1.97A Resolution
J.Mol.Biol., 332, 2003
2IE2
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BU of 2ie2 by Molmil
The 1.7 A crystal structure of Dronpa: a photoswitchable green fluorescent protein
分子名称: Fluorescent protein Dronpa
著者Rossjohn, J, Wilmann, P.G.
登録日2006-09-16
公開日2006-11-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The 1.7 A Crystal Structure of Dronpa: A Photoswitchable Green Fluorescent Protein
J.Mol.Biol., 364, 2006
3RXW
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BU of 3rxw by Molmil
KPC-2 carbapenemase in complex with PSR3-226
分子名称: (2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid, CITRIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC
著者Ke, W, van den Akker, F.
登録日2011-05-10
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226.
Antimicrob.Agents Chemother., 56, 2012
3RXX
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BU of 3rxx by Molmil
KPC-2 carbapenemase in complex with 3-NPBA
分子名称: 3-NITROPHENYLBORONIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC
著者Ke, W, van den Akker, F.
登録日2011-05-10
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226.
Antimicrob.Agents Chemother., 56, 2012
2K06
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BU of 2k06 by Molmil
Solution structure of the aminoterminal domain of E. coli NusG
分子名称: Transcription antitermination protein nusG
著者Schweimer, K, Scheckenhofer, U, Roesch, P.
登録日2008-01-25
公開日2009-02-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Two structurally independent domains of E. coli NusG create regulatory plasticity via distinct interactions with RNA polymerase and regulators.
J.Mol.Biol., 391, 2009
2BSP
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BU of 2bsp by Molmil
BACILLUS SUBTILIS PECTATE LYASE R279K MUTANT
分子名称: CALCIUM ION, PROTEIN (PECTATE LYASE)
著者Pickersgill, R.
登録日1998-07-31
公開日1998-08-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Conserved Arginine Proximal to the Essential Calcium of Bacillus Subtilis Pectate Lyase Stabilizes the Transition State
To be Published
2JVV
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BU of 2jvv by Molmil
Solution Structure of E. coli NusG carboxyterminal domain
分子名称: Transcription antitermination protein nusG
著者Schweimer, K, Scheckenhofer, U, Roesch, P.
登録日2007-09-26
公開日2008-10-14
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Two structurally independent domains of E. coli NusG create regulatory plasticity via distinct interactions with RNA polymerase and regulators.
J.Mol.Biol., 391, 2009
2JUL
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BU of 2jul by Molmil
NMR Structure of DREAM
分子名称: CALCIUM ION, Calsenilin
著者Ames, J.
登録日2007-08-30
公開日2008-04-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR structure of DREAM: Implications for Ca(2+)-dependent DNA binding and protein dimerization.
Biochemistry, 47, 2008
2G3O
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BU of 2g3o by Molmil
The 2.1A crystal structure of copGFP
分子名称: green fluorescent protein 2
著者Wilmann, P.G.
登録日2006-02-20
公開日2006-08-15
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The 2.1A crystal structure of copGFP, a representative member of the copepod clade within the green fluorescent protein superfamily
J.Mol.Biol., 359, 2006
2LMF
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BU of 2lmf by Molmil
Solution structure of human LL-23 bound to membrane-mimetic micelles
分子名称: Antibacterial protein LL-37
著者Wang, G.
登録日2011-11-30
公開日2011-12-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure, Dynamics, and Antimicrobial and Immune Modulatory Activities of Human LL-23 and Its Single-Residue Variants Mutated on the Basis of Homologous Primate Cathelicidins.
Biochemistry, 51, 2012
3HFM
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BU of 3hfm by Molmil
STRUCTURE OF AN ANTIBODY-ANTIGEN COMPLEX. CRYSTAL STRUCTURE OF THE HY/HEL-10 FAB-LYSOZYME COMPLEX
分子名称: HEN EGG WHITE LYSOZYME, HYHEL-10 IGG1 FAB (HEAVY CHAIN), HYHEL-10 IGG1 FAB (LIGHT CHAIN)
著者Padlan, E.A, Davies, D.R.
登録日1988-08-11
公開日1989-07-12
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of an antibody-antigen complex: crystal structure of the HyHEL-10 Fab-lysozyme complex.
Proc.Natl.Acad.Sci.USA, 86, 1989
4Q7G
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BU of 4q7g by Molmil
1.7 Angstrom Crystal Structure of leukotoxin LukD from Staphylococcus aureus.
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Leucotoxin LukDv
著者Minasov, G, Nocadello, S, Shuvalova, L, Shatsman, S, Kwon, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-04-24
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of the components of the Staphylococcus aureus leukotoxin ED.
Acta Crystallogr D Struct Biol, 72, 2016
1LY7
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The solution structure of the the c-terminal domain of frataxin, the protein responsible for friedreich ataxia
分子名称: frataxin
著者Musco, G, Stier, G, Kolmerer, B, Adinolfi, S, Martin, S, Frenkiel, T, Gibson, T, Pastore, A.
登録日2002-06-07
公開日2002-06-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Towards a structural understanding of Friedreich's ataxia: the solution structure of frataxin
Structure Fold.Des., 8, 2000
4RWR
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BU of 4rwr by Molmil
2.1 Angstrom Crystal Structure of Stage II Sporulation Protein D from Bacillus anthracis
分子名称: Stage II sporulation protein D
著者Minasov, G, Wawrzak, Z, Nocadello, S, Shuvalova, L, Dubrovska, I, Flores, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-12-05
公開日2014-12-17
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of the SpoIID Lytic Transglycosylases Essential for Bacterial Sporulation.
J.Biol.Chem., 291, 2016
1EP3
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BU of 1ep3 by Molmil
CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B. DATA COLLECTED UNDER CRYOGENIC CONDITIONS.
分子名称: DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ...
著者Rowland, P, Norager, S, Jensen, K.F, Larsen, S.
登録日2000-03-27
公開日2001-01-17
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster.
Structure Fold.Des., 8, 2000
1ESK
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BU of 1esk by Molmil
SOLUTION STRUCTURE OF NCP7 FROM HIV-1
分子名称: GAG POLYPROTEIN, ZINC ION
著者Morellet, N, Demene, H, Teilleux, V, Huynh-Dinh, T, de Rocquigny, H, Fournie-Zaluski, M.-C, Roques, B.P.
登録日2000-04-10
公開日2000-04-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of (12-53)NCp7 of HIV-1
To be Published
3ROH
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BU of 3roh by Molmil
Crystal Structure of Leukotoxin (LukE) from Staphylococcus aureus subsp. aureus COL.
分子名称: CHLORIDE ION, Leucotoxin LukEv, TRIETHYLENE GLYCOL
著者Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-04-25
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structures of the components of the Staphylococcus aureus leukotoxin ED.
Acta Crystallogr.,Sect.D, 72, 2016
2VDG
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Barley Aldose Reductase 1 complex with butanol
分子名称: 1-BUTANOL, ALDOSE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Olsen, J.G, Pedersen, L, Christensen, C.L, Olsen, O, Henriksen, A.
登録日2007-10-08
公開日2008-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Barley Aldose Reductase: Structure, Cofactor Binding, and Substrate Recognition in the Aldo/Keto Reductase 4C Family.
Proteins: Struct., Funct., Bioinf., 71, 2008

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