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2H96
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BU of 2h96 by Molmil
Discovery of Potent, Highly Selective, and Orally Bioavailable Pyridine Carboxamide C-jun NH2-terminal Kinase Inhibitors
Descriptor: 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE, C-jun-amino-terminal kinase-interacting protein 1, GLYCEROL, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-06-09
Release date:2006-07-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors.
J.Med.Chem., 49, 2006
2O0I
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BU of 2o0i by Molmil
crystal structure of the R185A mutant of the N-terminal domain of the Group B Streptococcus Alpha C protein
Descriptor: C protein alpha-antigen
Authors:Hogle, J.M, Filman, D.J, Baron, M.J, Madoff, L.C, Iglesias, A.
Deposit date:2006-11-27
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Identification of a glycosaminoglycan binding region of the alpha C protein that mediates entry of group B streptococci into host cells.
J.Biol.Chem., 282, 2007
6YYJ
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BU of 6yyj by Molmil
Crystal structure of native Phycocyanin from T. elongatus in spacegroup P21212 at 2.1 Angstroms
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, C-phycocyanin alpha chain, ...
Authors:Feiler, C.G, Falke, S, Sarrou, I.
Deposit date:2020-05-05
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening.
Acta Crystallogr D Struct Biol, 77, 2021
2VR0
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BU of 2vr0 by Molmil
Crystal structure of cytochrome c nitrite reductase NrfHA complex bound to the HQNO inhibitor
Descriptor: 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ...
Authors:Rodrigues, M.L, Archer, M.
Deposit date:2008-03-24
Release date:2008-06-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Quinol Oxidation by C-Type Cytochromes: Structural Characterization of the Menaquinol Binding Site of Nrfha.
J.Mol.Biol., 381, 2008
5LO9
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BU of 5lo9 by Molmil
Thiosulfate dehydrogenase (TsdBA) from Marichromatium purpuratum - "as isolated" form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome C, ...
Authors:Brito, J.A, Kurth, J.M, Reuter, J, Flegler, A, Koch, T, Franke, T, Klein, E, Rowe, S, Butt, J.N, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2016-08-08
Release date:2016-10-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Electron Accepting Units of the Diheme Cytochrome c TsdA, a Bifunctional Thiosulfate Dehydrogenase/Tetrathionate Reductase.
J.Biol.Chem., 291, 2016
1KOK
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BU of 1kok by Molmil
Crystal Structure of Mesopone Cytochrome c Peroxidase (MpCcP)
Descriptor: Cytochrome c Peroxidase, FE(III)-(4-MESOPORPHYRINONE)
Authors:Bhaskar, B, Immoos, C.E, Cohen, M.S, Barrows, T.P, Farmer, P.J, Poulos, T.L.
Deposit date:2001-12-20
Release date:2002-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mesopone cytochrome c peroxidase: functional model of heme oxygenated oxidases.
J.Inorg.Biochem., 91, 2002
6DO4
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BU of 6do4 by Molmil
KLHDC2 ubiquitin ligase in complex with SelS C-end degron
Descriptor: Kelch domain-containing protein 2, SELS C-END DEGRON
Authors:Rusnac, D.V, Lin, H.C, Yen, H.C.S, Zheng, N.
Deposit date:2018-06-08
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition of the Diglycine C-End Degron by CRL2KLHDC2Ubiquitin Ligase.
Mol. Cell, 72, 2018
2IO6
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BU of 2io6 by Molmil
Wee1 kinase complexed with inhibitor PD330961
Descriptor: 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Wee1-like protein kinase
Authors:Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N.
Deposit date:2006-10-10
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008
2IN6
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BU of 2in6 by Molmil
Wee1 kinase complex with inhibitor PD311839
Descriptor: 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID, Wee1-like protein kinase
Authors:Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N.
Deposit date:2006-10-05
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008
4WJY
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BU of 4wjy by Molmil
Esherichia coli nitrite reductase NrfA H264N
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cytochrome c-552, ...
Authors:Clarke, T.A, Edwards, M.J, Lockwood, C.W.J.
Deposit date:2014-10-01
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Resolution of key roles for the distal pocket histidine in cytochrome C nitrite reductases.
J.Am.Chem.Soc., 137, 2015
5NDC
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BU of 5ndc by Molmil
Structure of ba3-type cytochrome c oxidase from Thermus thermophilus by serial femtosecond crystallography
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide IIA, ...
Authors:Andersson, R, Safari, C, Dods, R, Nango, E, Tanaka, R, Nakane, T, Tono, K, Joti, Y, Bath, P, Dunevall, E, Bosman, E, Nureki, O, Iwata, S, Neutze, R, Branden, G.
Deposit date:2017-03-08
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Serial femtosecond crystallography structure of cytochrome c oxidase at room temperature.
Sci Rep, 7, 2017
5O10
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BU of 5o10 by Molmil
Y48H mutant of human cytochrome c
Descriptor: Cytochrome c, HEME C
Authors:Moreno-Chicano, T, Deacon, O.M, Hough, M.A, Worrall, J.A.R.
Deposit date:2017-05-17
Release date:2018-03-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Heightened Dynamics of the Oxidized Y48H Variant of Human Cytochrome c Increases Its Peroxidatic Activity.
Biochemistry, 56, 2017
6PFV
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BU of 6pfv by Molmil
Structure of S. venezuelae RisG-WhiG-c-di-GMP complex: orthorhombic crystal form
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), AmfC protein, RNA polymerase sigma factor
Authors:Schumacher, M.A.
Deposit date:2019-06-22
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:c-di-GMP Arms an Anti-sigma to Control Progression of Multicellular Differentiation in Streptomyces.
Mol.Cell, 77, 2020
7B3Q
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BU of 7b3q by Molmil
Crystal structure of c-MET bound by compound 1
Descriptor: 1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one, Hepatocyte growth factor receptor, SULFATE ION
Authors:Collie, G.W.
Deposit date:2020-12-01
Release date:2020-12-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
5NGX
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BU of 5ngx by Molmil
The 1.06 A resolution structure of the L16G mutant of ferric cytochrome c prime from Alcaligenes xylosoxidans, complexed with nitrite
Descriptor: Cytochrome c', GLYCEROL, HEME C, ...
Authors:Strange, R, Hough, M, Kekelli, D, Horrell, S, Moreno Chicano, T.
Deposit date:2017-03-20
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Distinguishing Nitro vs Nitrito Coordination in Cytochrome c' Using Vibrational Spectroscopy and Density Functional Theory.
Inorg.Chem., 56, 2017
8HJA
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BU of 8hja by Molmil
The crystal structure of syn_CdgR-(c-di-GMP) from Synechocystis sp. PCC 6803
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), c-di-GMP receptor
Authors:Zeng, X, Peng, Y.J.
Deposit date:2022-11-22
Release date:2023-03-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:A c-di-GMP binding effector controls cell size in a cyanobacterium.
Proc.Natl.Acad.Sci.USA, 120, 2023
5NC0
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BU of 5nc0 by Molmil
The 0.91 A resolution structure of the L16G mutant of cytochrome c prime from Alcaligenes xylosoxidans, complexed with nitric oxide
Descriptor: 1,2-ETHANEDIOL, Cytochrome c', HEME C, ...
Authors:Strange, R, Hough, M, Antonyuk, S, Rustage, N.
Deposit date:2017-03-02
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Distinguishing Nitro vs Nitrito Coordination in Cytochrome c' Using Vibrational Spectroscopy and Density Functional Theory.
Inorg Chem, 56, 2017
6XA2
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BU of 6xa2 by Molmil
Structure of the tirandamycin C-bound P450 monooxygenase TamI
Descriptor: (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione, PROTOPORPHYRIN IX CONTAINING FE, TamI
Authors:Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H.
Deposit date:2020-06-03
Release date:2021-06-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway.
Acs Catalysis, 10, 2020
8EBN
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BU of 8ebn by Molmil
Structure of KLHDC2-EloB/C tetrameric assembly
Descriptor: Elongin-B, Elongin-C, Kelch domain-containing protein 2
Authors:Scott, D.C, Schulman, B.A.
Deposit date:2022-08-31
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity.
Mol.Cell, 83, 2023
7SYS
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BU of 7sys by Molmil
Structure of the delta dII IRES eIF2-containing 48S initiation complex, closed conformation. Structure 12(delta dII).
Descriptor: 18S rRNA, Eukaryotic translation initiation factor 1A, X-chromosomal, ...
Authors:Brown, Z.P, Abaeva, I.S, De, S, Hellen, C.U.T, Pestova, T.V, Frank, J.
Deposit date:2021-11-25
Release date:2022-07-27
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular architecture of 40S translation initiation complexes on the hepatitis C virus IRES.
Embo J., 41, 2022
7SYQ
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BU of 7syq by Molmil
Structure of the wt IRES and 40S ribosome ternary complex, open conformation. Structure 11(wt)
Descriptor: 18S rRNA, Eukaryotic translation initiation factor 1A, X-chromosomal, ...
Authors:Brown, Z.P, Abaeva, I.S, De, S, Hellen, C.U.T, Pestova, T.V, Frank, J.
Deposit date:2021-11-25
Release date:2022-07-27
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Molecular architecture of 40S translation initiation complexes on the hepatitis C virus IRES.
Embo J., 41, 2022
7SYR
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BU of 7syr by Molmil
Structure of the wt IRES eIF2-containing 48S initiation complex, closed conformation. Structure 12(wt).
Descriptor: 18S rRNA, Eukaryotic translation initiation factor 1A, X-chromosomal, ...
Authors:Brown, Z.P, Abaeva, I.S, De, S, Hellen, C.U.T, Pestova, T.V, Frank, J.
Deposit date:2021-11-25
Release date:2022-07-27
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular architecture of 40S translation initiation complexes on the hepatitis C virus IRES.
Embo J., 41, 2022
7ZQZ
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BU of 7zqz by Molmil
F61V Cytochrome c prime beta from Methylococcus capsulatus (Bath): NO complex
Descriptor: Cytochrome c, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Adams, H.R, Hough, M.A.
Deposit date:2022-05-03
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A heme pocket aromatic quadrupole modulates gas binding to cytochrome c'-beta : Implications for NO sensors.
J.Biol.Chem., 299, 2023
7ZSW
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BU of 7zsw by Molmil
F32V Cytochrome c prime beta from Methylococcus capsulatus (Bath): NO Complex
Descriptor: Cytochrome c, GLYCEROL, HEME C, ...
Authors:Adams, H.R, Hough, M.A.
Deposit date:2022-05-09
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A heme pocket aromatic quadrupole modulates gas binding to cytochrome c'-beta : Implications for NO sensors.
J.Biol.Chem., 299, 2023
7ZSX
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BU of 7zsx by Molmil
F32V Cytochrome c prime beta from Methylococcus capsulatus (Bath): CO Complex
Descriptor: CARBON MONOXIDE, Cytochrome c, GLYCEROL, ...
Authors:Adams, H.R, Hough, M.A.
Deposit date:2022-05-09
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A heme pocket aromatic quadrupole modulates gas binding to cytochrome c'-beta : Implications for NO sensors.
J.Biol.Chem., 299, 2023

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