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8CE8
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BU of 8ce8 by Molmil
Cytochrome c maturation complex CcmABCDE
Descriptor: Cytochrome c biogenesis ATP-binding export protein CcmA, Cytochrome c-type biogenesis protein CcmE, Heme exporter protein B, ...
Authors:Ilcu, L, Zhang, L, Einsle, O.
Deposit date:2023-02-01
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation.
Nat Commun, 14, 2023
4UYN
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BU of 4uyn by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
Descriptor: AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
Authors:Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C.
Deposit date:2014-09-02
Release date:2014-11-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
3CJN
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BU of 3cjn by Molmil
Crystal structure of transcriptional regulator, MarR family, from Silicibacter pomeroyi
Descriptor: PHOSPHATE ION, Transcriptional regulator, MarR family
Authors:Chang, C, Volkart, L, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-03-13
Release date:2008-03-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of MarR family transcriptional regulator from Silicibacter pomeroyi.
To be Published
3CWI
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BU of 3cwi by Molmil
Crystal structure of thiamine biosynthesis protein (ThiS) from Geobacter metallireducens. Northeast Structural Genomics Consortium Target GmR137
Descriptor: Thiamine-biosynthesis protein ThiS
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Mao, L, Janjua, H, Xiao, R, Maglaqui, M, Ciccosanti, C, Foote, E.L, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-04-21
Release date:2008-05-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of thiamine biosynthesis protein (ThiS) from Geobacter metallireducens.
To be Published
5DSF
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BU of 5dsf by Molmil
Crystal structure of the mercury-bound form of MerB mutant D99S
Descriptor: Alkylmercury lyase, BROMIDE ION, MERCURY (II) ION
Authors:Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G.
Deposit date:2015-09-17
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity.
Biochemistry, 55, 2016
3CON
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BU of 3con by Molmil
Crystal structure of the human NRAS GTPase bound with GDP
Descriptor: GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Nedyalkova, L, Tong, Y, Tempel, W, Shen, L, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-03-28
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Crystal structure of the human NRAS GTPase bound with GDP.
To be Published
4UUQ
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BU of 4uuq by Molmil
Crystal structure of human mono-glyceride lipase in complex with SAR127303
Descriptor: 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE
Authors:Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J.
Deposit date:2014-07-30
Release date:2015-01-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents.
Sci.Rep., 5, 2015
7SI2
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BU of 7si2 by Molmil
Crystal structure of neutralizing antibody 10-28 in complex with SARS-CoV-2 spike receptor binding domain (RBD)
Descriptor: 10-28 Heavy Chain, 10-28 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2021-10-12
Release date:2022-04-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
1S13
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BU of 1s13 by Molmil
Human Heme Oxygenase Oxidatition of alpha- and gamma-meso-Phenylhemes
Descriptor: 2-PHENYLHEME, Heme oxygenase 1
Authors:Wang, J, Niemevz, F, Lad, L, Buldain, G, Poulos, T.L, Ortiz de Montellano, P.R.
Deposit date:2004-01-05
Release date:2004-08-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Human heme oxygenase oxidation of 5- and 15-phenylhemes.
J.Biol.Chem., 279, 2004
3CEW
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BU of 3cew by Molmil
Crystal structure of a cupin protein (BF4112) from Bacteroides fragilis. Northeast Structural Genomics Consortium target BfR205
Descriptor: Uncharacterized cupin protein, ZINC ION
Authors:Forouhar, F, Chen, Y, Seetharaman, J, Mao, L, Xiao, R, Ciccosanti, C, Foote, E.L, Maglaqui, M, Wang, H, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-02-29
Release date:2008-03-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of a cupin protein (BF4112) from Bacteroides fragilis. Northeast Structural Genomics Consortium target BfR205.
To be Published
3CNW
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BU of 3cnw by Molmil
Three-dimensional structure of the protein XoxI (Q81AY6) from Bacillus cereus. Northeast Structural Genomics Consortium target BcR196.
Descriptor: Protein XoxI
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, J, Wang, H, Ciccosanti, C, Mao, L, Xiao, R, Nair, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-03-26
Release date:2008-04-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Three-dimensional structure of the protein XoxI (Q81AY6) from Bacillus cereus. Northeast Structural Genomics Consortium target BcR196.
To Be Published
7OCJ
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BU of 7ocj by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS2(Nb14509)
Descriptor: 1,2-ETHANEDIOL, LexA repressor, NbSOS2 (14509)
Authors:Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
Deposit date:2021-04-27
Release date:2022-10-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
4V0G
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BU of 4v0g by Molmil
JAK3 in complex with a covalent EGFR inhibitor
Descriptor: N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide, TYROSINE-PROTEIN KINASE JAK3
Authors:Debreczeni, J.E, Hennessy, E.J, Chuaquini, C, Ashton, S, Coclough, N, Cross, D.A.E, Eberlein, C, Gingipalli, L, Klinowska, T.C.M, Orme, J.P, Sha, L, Wu, X.
Deposit date:2014-09-16
Release date:2016-01-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Utilisation of Structure Based Design to Identify Novel, Irreversible Inhibitors of the Epidermal Growth Factor Receptor (Egfr) Harboring the Gatekeeper T790M Mutation
To be Published
3D3Q
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BU of 3d3q by Molmil
Crystal structure of tRNA delta(2)-isopentenylpyrophosphate transferase (SE0981) from Staphylococcus epidermidis. Northeast Structural Genomics Consortium target SeR100
Descriptor: tRNA delta(2)-isopentenylpyrophosphate transferase
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Mao, L, Xiao, R, Maglaqui, M, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-05-12
Release date:2008-07-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of tRNA delta(2)-isopentenylpyrophosphate transferase (SE0981) from Staphylococcus epidermidis.
To be Published
3CEI
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BU of 3cei by Molmil
Crystal Structure of Superoxide Dismutase from Helicobacter pylori
Descriptor: FE (III) ION, SULFATE ION, Superoxide dismutase
Authors:Esposito, L, Seydel, A, Aiello, R, Sorrentino, G, Cendron, L, Zanotti, G, Zagari, A.
Deposit date:2008-02-29
Release date:2008-06-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of the superoxide dismutase from Helicobacter pylori reveals a structured C-terminal extension
Biochim.Biophys.Acta, 1784, 2008
1BK6
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BU of 1bk6 by Molmil
KARYOPHERIN ALPHA (YEAST) + SV40 T ANTIGEN NLS
Descriptor: KARYOPHERIN ALPHA, LARGE T ANTIGEN
Authors:Conti, E, Uy, M, Leighton, L, Blobel, G, Kuriyan, J.
Deposit date:1998-07-14
Release date:1999-01-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic analysis of the recognition of a nuclear localization signal by the nuclear import factor karyopherin alpha.
Cell(Cambridge,Mass.), 94, 1998
1BK5
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BU of 1bk5 by Molmil
KARYOPHERIN ALPHA FROM SACCHAROMYCES CEREVISIAE
Descriptor: COBALT (II) ION, KARYOPHERIN ALPHA
Authors:Conti, E, Uy, M, Leighton, L, Blobel, G, Kuriyan, J.
Deposit date:1998-07-14
Release date:1999-01-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic analysis of the recognition of a nuclear localization signal by the nuclear import factor karyopherin alpha.
Cell(Cambridge,Mass.), 94, 1998
1BOX
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BU of 1box by Molmil
N39S MUTANT OF RNASE SA FROM STREPTOMYCES AUREOFACIENS
Descriptor: GUANYL-SPECIFIC RIBONUCLEASE SA
Authors:Hebert, E.J, Giletto, A, Sevcik, J, Urbanikova, L, Wilson, K.S, Dauter, Z, Pace, C.N.
Deposit date:1998-08-07
Release date:1999-12-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Contribution of a conserved asparagine to the conformational stability of ribonucleases Sa, Ba, and T1.
Biochemistry, 37, 1998
1BN6
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BU of 1bn6 by Molmil
HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES
Descriptor: HALOALKANE DEHALOGENASE
Authors:Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C.
Deposit date:1998-07-31
Release date:2000-02-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Haloalkane dehalogenases: structure of a Rhodococcus enzyme.
Biochemistry, 38, 1999
1BS0
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BU of 1bs0 by Molmil
PLP-DEPENDENT ACYL-COA SYNTHASE
Descriptor: PROTEIN (8-AMINO-7-OXONANOATE SYNTHASE), SULFATE ION
Authors:Alexeev, D, Alexeeva, M, Baxter, R.L, Campopiano, D.J, Webster, S.P, Sawyer, L.
Deposit date:1998-08-31
Release date:1999-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of 8-amino-7-oxononanoate synthase: a bacterial PLP-dependent, acyl-CoA-condensing enzyme.
J.Mol.Biol., 284, 1998
1BXD
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BU of 1bxd by Molmil
NMR STRUCTURE OF THE HISTIDINE KINASE DOMAIN OF THE E. COLI OSMOSENSOR ENVZ
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROTEIN (OSMOLARITY SENSOR PROTEIN (ENVZ))
Authors:Tanaka, T, Saha, S.K, Tomomori, C, Ishima, R, Liu, D, Tong, K.I, Park, H, Dutta, R, Qin, L, Swindells, M.B, Yamazaki, T, Ono, A.M, Kainosho, M, Inouye, M, Ikura, M.
Deposit date:1998-10-02
Release date:1999-10-02
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of the histidine kinase domain of the E. coli osmosensor EnvZ.
Nature, 396, 1998
1BYX
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BU of 1byx by Molmil
CHIMERIC HYBRID DUPLEX R(GCAGUGGC).R(GCCA)D(CTGC) COMPRISING THE TRNA-DNA JUNCTION FORMED DURING INITIATION OF HIV-1 REVERSE TRANSCRIPTION
Descriptor: DNA/RNA (5'-R(*GP*CP*CP*A)-D(P*CP*TP*GP*C)-3'), RNA (5'-R(*GP*CP*AP*GP*UP*GP*GP*C)-3')
Authors:Szyperski, T, Goette, M, Billeter, M, Perola, E, Cellai, L.
Deposit date:1998-10-20
Release date:1999-10-20
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of the chimeric hybrid duplex r(gcaguggc).r(gcca)d(CTGC) comprising the tRNA-DNA junction formed during initiation of HIV-1 reverse transcription.
J.Biomol.NMR, 13, 1999
1BJJ
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BU of 1bjj by Molmil
AGKISTRODOTOXIN, A PHOSPHOLIPASE A2-TYPE PRESYNAPTIC NEUROTOXIN FROM AGKISTRODON HALYS PALLAS
Descriptor: AGKISTRODOTOXIN, CALCIUM ION
Authors:Tang, L, Zhou, Y, Lin, Z.
Deposit date:1998-06-25
Release date:1999-07-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of agkistrodotoxin in an orthorhombic crystal form with six molecules per asymmetric unit.
Acta Crystallogr.,Sect.D, 55, 1999
1BY5
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BU of 1by5 by Molmil
FHUA FROM E. COLI, WITH ITS LIGAND FERRICHROME
Descriptor: FE (III) ION, FERRIC HYDROXAMATE UPTAKE PROTEIN, FERRICHROME, ...
Authors:Locher, K.P, Rees, B, Koebnik, R, Mitschler, A, Moulinier, L, Rosenbusch, J.P, Moras, D.
Deposit date:1998-10-23
Release date:1999-01-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Transmembrane signaling across the ligand-gated FhuA receptor: crystal structures of free and ferrichrome-bound states reveal allosteric changes.
Cell(Cambridge,Mass.), 95, 1998
1C4O
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BU of 1c4o by Molmil
CRYSTAL STRUCTURE OF THE DNA NUCLEOTIDE EXCISION REPAIR ENZYME UVRB FROM THERMUS THERMOPHILUS
Descriptor: DNA NUCLEOTIDE EXCISION REPAIR ENZYME UVRB, SULFATE ION, octyl beta-D-glucopyranoside
Authors:Machius, M, Henry, L, Palnitkar, M, Deisenhofer, J.
Deposit date:1999-09-14
Release date:2000-07-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the DNA nucleotide excision repair enzyme UvrB from Thermus thermophilus.
Proc.Natl.Acad.Sci.USA, 96, 1999

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