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9C0Z
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BU of 9c0z by Molmil
Clathrin terminal domain complexed with pitstop 2d
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V.
Deposit date:2024-05-28
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function
To Be Published
6TA5
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BU of 6ta5 by Molmil
OprM-MexA complex from the MexAB-OprM Pseudomonas aeruginosa whole assembly reconstituted in nanodiscs
Descriptor: Efflux pump membrane transporter, MexA family multidrug efflux RND transporter periplasmic adaptor subunit, Outer membrane protein OprM
Authors:Glavier, M, Schoehn, G, Taveau, J.C, Phan, G, Daury, L, Lambert, O, Broutin, I.
Deposit date:2019-10-29
Release date:2020-09-16
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Antibiotic export by MexB multidrug efflux transporter is allosterically controlled by a MexA-OprM chaperone-like complex.
Nat Commun, 11, 2020
1WI1
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BU of 1wi1 by Molmil
Solution structure of the PH domain of human calcium-dependent activator protein for secretion (CAPS)
Descriptor: calcium-dependent activator protein for secretion, CAPS
Authors:Yoneyama, M, Izumi, K, Yoshida, M, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-28
Release date:2004-11-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the PH domain of human calcium-dependent activator protein for secretion (CAPS)
To be Published
2FYO
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BU of 2fyo by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in space group P43212
Descriptor: Carnitine O-palmitoyltransferase II, mitochondrial
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2006-02-08
Release date:2007-02-08
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
2FVJ
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BU of 2fvj by Molmil
A novel anti-adipogenic partial agonist of peroxisome proliferator-activated receptor-gamma (PPARG) recruits pparg-coactivator-1 alpha (PGC1A) but potentiates insulin signaling in vitro
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE, GLYCEROL, Nuclear receptor coactivator 1, ...
Authors:Benz, J, Burgermeister, E, Flament, A, Schnoebelen, A, Stihle, M, Gsell, B, Rufer, A, Ruf, A, Kuhn, B, Maerki, H.P, Mizrahi, J, Sebokova, E, Niesor, E, Meyer, M.
Deposit date:2006-01-31
Release date:2006-05-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A novel partial agonist of peroxisome proliferator-activated receptor-gamma (PPARgamma) recruits PPARgamma-coactivator-1alpha, prevents triglyceride accumulation, and potentiates insulin signaling in vitro
Mol.Endocrinol., 20, 2006
9BFY
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BU of 9bfy by Molmil
Tri-complex of Compound-12, KRAS G12C, and CypA
Descriptor: (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2024-04-18
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
8IYJ
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BU of 8iyj by Molmil
Cryo-EM structure of the 48-nm repeat doublet microtubule from mouse sperm
Descriptor: Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ...
Authors:Zhou, L.N, Gui, M, Wu, J.P.
Deposit date:2023-04-05
Release date:2023-07-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of sperm flagellar doublet microtubules expand the genetic spectrum of male infertility.
Cell, 186, 2023
1WLV
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BU of 1wlv by Molmil
Crystal structure of TT0310 protein from Thermus thermophilus HB8
Descriptor: ACETATE ION, CHLORIDE ION, COENZYME A, ...
Authors:Kunishima, N, Sugahara, M, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-06-29
Release date:2005-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Novel Induced-fit Reaction Mechanism of Asymmetric Hot Dog Thioesterase PaaI
J.Mol.Biol., 352, 2005
1X2J
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BU of 1x2j by Molmil
Structural basis for the defects of human lung cancer somatic mutations in the repression activity of Keap1 on Nrf2
Descriptor: Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Padmanabhan, B, Tong, K.I, Nakamura, Y, Ohta, T, Scharlock, M, Kobayashi, A, Ohtsuji, M, Kang, M.-I, Yamamoto, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-04-25
Release date:2006-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for defects of keap1 activity provoked by its point mutations in lung cancer
Mol.Cell, 21, 2006
1X2R
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BU of 1x2r by Molmil
Structural basis for the defects of human lung cancer somatic mutations in the repression activity of Keap1 on Nrf2
Descriptor: Kelch-like ECH-associated protein 1, Nuclear factor erythroid 2 related factor 2, SULFATE ION
Authors:Padmanabhan, B, Tong, K.I, Nakamura, Y, Ohta, T, Scharlock, M, Kobayashi, A, Ohtsuji, M, Kang, M.-I, Yamamoto, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-04-26
Release date:2006-03-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for defects of keap1 activity provoked by its point mutations in lung cancer
Mol.Cell, 21, 2006
2FQE
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BU of 2fqe by Molmil
Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
6GE0
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BU of 6ge0 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]ethanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:O'Reilly, M.
Deposit date:2018-04-25
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
8J62
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BU of 8j62 by Molmil
Cryo-EM structure of APOBEC3G-Vif complex
Descriptor: APOBEC3G, Core binding factor beta, RNA (5'-R(*CP*GP*GP*UP*UP*GP*AP*UP*UP*GP*UP*UP*UP*UP*AP*AP*CP*AP*A)-3'), ...
Authors:Kouno, T, Shibata, S, Hyun, J, Kim, T.G, Wolf, M.
Deposit date:2023-04-24
Release date:2023-07-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural insights into RNA bridging between HIV-1 Vif and antiviral factor APOBEC3G.
Nat Commun, 14, 2023
8J07
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BU of 8j07 by Molmil
96nm repeat of human respiratory doublet microtubule and associated axonemal complexes
Descriptor: ACTA2, Axonemal dynein light intermediate polypeptide 1, Calaxin, ...
Authors:Gui, M, Brown, A.
Deposit date:2023-04-09
Release date:2023-07-26
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Axonemal structures reveal mechanoregulatory and disease mechanisms.
Nature, 618, 2023
2FW3
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BU of 2fw3 by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in complex with antidiabetic drug ST1326
Descriptor: (3R)-3-{[(TETRADECYLAMINO)CARBONYL]AMINO}-4-(TRIMETHYLAMMONIO)BUTANOATE, Carnitine O-palmitoyltransferase II, mitochondrial
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2006-02-01
Release date:2007-02-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
2FV8
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BU of 2fv8 by Molmil
The crystal structure of RhoB in the GDP-bound state
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Rho-related GTP-binding protein RhoB
Authors:Turnbull, A.P, Soundararajan, M, Smee, C, Johansson, C, Schoch, G, Gorrec, F, Bray, J, Papagrigoriou, E, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-01-30
Release date:2006-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of RhoB in the GDP-bound state
To be Published
9EM1
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BU of 9em1 by Molmil
Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone and phosphate
Descriptor: 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, Chronophin, GLYCEROL, ...
Authors:Brenner, M, Gohla, A, Schindelin, H.
Deposit date:2024-03-07
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024
9BG1
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BU of 9bg1 by Molmil
Tri-complex of Compound-3, KRAS G12V, and CypA
Descriptor: (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2024-04-18
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Tri-complex of Compound-3, KRAS G12V, and CypA
To be published
5LJQ
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BU of 5ljq by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 4-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide inhibitor
Descriptor: 1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M, Supuran, C.
Deposit date:2016-07-19
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations.
J. Med. Chem., 59, 2016
2FQG
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BU of 2fqg by Molmil
Crystal Structures of E. coli Laccase CueO under different copper binding situations
Descriptor: Blue copper oxidase cueO, CITRIC ACID, COPPER (II) ION, ...
Authors:Li, X, Wei, Z, Zhang, M, Teng, M, Gong, W.
Deposit date:2006-01-18
Release date:2007-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of E. coli laccase CueO at different copper concentrations.
Biochem.Biophys.Res.Commun., 354, 2007
1WM6
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BU of 1wm6 by Molmil
Crystal structure of TT0310 protein from Thermus thermophilus HB8
Descriptor: CHLORIDE ION, phenylacetic acid degradation protein PaaI
Authors:Sugahara, M, Kunishima, N, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-07-04
Release date:2005-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Novel Induced-fit Reaction Mechanism of Asymmetric Hot Dog Thioesterase PaaI
J.Mol.Biol., 352, 2005
2FOM
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BU of 2fom by Molmil
Dengue Virus NS2B/NS3 Protease
Descriptor: CHLORIDE ION, GLYCEROL, polyprotein
Authors:Schiering, N, Kroemer, M, Renatus, M, Erbel, P, D'Arcy, A.
Deposit date:2006-01-13
Release date:2006-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for the activation of flaviviral NS3 proteases from dengue and West Nile virus.
Nat.Struct.Mol.Biol., 13, 2006
1WUN
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BU of 1wun by Molmil
Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-Trp-Gln-p-aminobenzamidine
Descriptor: CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE, ...
Authors:Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Yoshihashi, K, Kitazawa, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T.
Deposit date:2004-12-08
Release date:2005-12-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 327, 2005
2FOX
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BU of 2fox by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN: SEMIQUINONE
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
Deposit date:1997-01-08
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
1WWH
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BU of 1wwh by Molmil
Crystal structure of the MPPN domain of mouse Nup35
Descriptor: nucleoporin 35
Authors:Handa, N, Murayama, K, Kukimoto, M, Hamana, H, Uchikubo, T, Takemoto, C, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-01-05
Release date:2005-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of mouse Nup35 reveals atypical RNP motifs and novel homodimerization of the RRM domain
J.Mol.Biol., 363, 2006

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