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2VR6
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BU of 2vr6 by Molmil
Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.3 A resolution
Descriptor: COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ...
Authors:Antonyuk, S, Cao, X, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Selverstone Valentine, J, Hasnain, S.S, Hart, P.J.
Deposit date:2008-03-28
Release date:2008-04-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
4YKX
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BU of 4ykx by Molmil
Heat Shock Protein 90 Bound to CS318
Descriptor: (5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone, GLYCEROL, Heat shock protein HSP 90-alpha
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2015-03-04
Release date:2016-03-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Heat Shock Protein 90 Bound to CS318
To Be Published
4YPY
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BU of 4ypy by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
Descriptor: 4-(1H-imidazol-5-yl)pyridine, CITRATE ANION, tRNA (guanine-N(1)-)-methyltransferase
Authors:Elkins, P.A, Bonnette, W.G, Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQG
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BU of 4yqg by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
Descriptor: 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
Authors:Elkins, P.A, Bonnette, W.G, Williams, S.P, Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.858 Å)
Cite:Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
2W2F
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BU of 2w2f by Molmil
CRYSTAL STRUCTURE OF SINGLE POINT MUTANT ARG48GLN OF P-COUMARIC ACID DECARBOXYLASE FROM LACTOBACILLUS PLANTARUM STRUCTURAL INSIGHTS INTO THE ACTIVE SITE AND DECARBOXYLATION CATALYTIC MECHANISM
Descriptor: BARIUM ION, P-COUMARIC ACID DECARBOXYLASE
Authors:Rodriguez, H, Angulo, I, De Las Rivas, B, Campillo, N, Paez, J.A, Munoz, R, Mancheno, J.M.
Deposit date:2008-10-29
Release date:2010-02-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:P-Coumaric Acid Decarboxylase from Lactobacillus Plantarum: Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism.
Proteins, 78, 2010
4WUV
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BU of 4wuv by Molmil
Crystal Structure of a putative D-Mannonate oxidoreductase from Haemophilus influenza (Avi_5165, TARGET EFI-513796) with bound NAD
Descriptor: 1,2-ETHANEDIOL, 2-hydroxycyclohexanecarboxyl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C.
Deposit date:2014-11-03
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Crystal structure of a putative D-Mannonate oxidoreductase from Haemophilus influenza (Avi_5165, TARGET EFI-513796) with bound NAD
To be published
3G1S
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BU of 3g1s by Molmil
Crystal structure of the mutant D70G of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum
Descriptor: Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C.
Deposit date:2009-01-30
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
3G22
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BU of 3g22 by Molmil
Crystal structure of the mutant D70N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with uridine 5'-monophosphate
Descriptor: Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
Authors:Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C.
Deposit date:2009-01-30
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
4WXE
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BU of 4wxe by Molmil
CRYSTAL STRUCTURE OF A LACI REGULATOR FROM LACTOBACILLUS CASEI (LSEI_2103, TARGET EFI-512911) WITH BOUND TRIS
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-11-13
Release date:2014-11-26
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:CRYSTAL STRUCTURE OF A LACI REGULATOR FROM LACTOBACILLUS CASEI (LSEI_2103, TARGET EFI-512911) WITH BOUND TRIS
To be published
3G9X
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BU of 3g9x by Molmil
Structure of haloalkane dehalogenase DhaA14 mutant I135F from Rhodococcus rhodochrous
Descriptor: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Gavira, J.A, Stsiapanava, A, Kuty, M, Lapkouski, M, Dohnalek, J, Kuta Smatanova, I.
Deposit date:2009-02-15
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010
2X0K
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BU of 2x0k by Molmil
Crystal structure of modular FAD synthetase from Corynebacterium ammoniagenes
Descriptor: PYROPHOSPHATE, RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBF, SULFATE ION
Authors:Herguedas, B, Hermoso, J.A, Martinez-Julvez, M, Medina, M, Frago, S.
Deposit date:2009-12-15
Release date:2010-05-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Oligomeric State in the Crystal Structure of Modular Fad Synthetase Provides Insights Into its Sequential Catalysis in Prokaryotes
J.Mol.Biol., 400, 2010
4X08
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BU of 4x08 by Molmil
Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms.
Descriptor: Eosinophil cationic protein, SULFATE ION
Authors:Blanco, J.A, Garcia, J.M, Salazar, V.A, Sanchez, D, Moussauoi, M, Boix, E.
Deposit date:2014-11-21
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms.
To Be Published
2WRT
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BU of 2wrt by Molmil
The 2.4 Angstrom structure of the Fasciola hepatica mu class GST, GST26
Descriptor: CHLORIDE ION, GLUTATHIONE S-TRANSFERASE CLASS-MU 26 KDA ISOZYME 51
Authors:Line, K, Isupov, M.N, LaCourse, E.J, Brophy, P.M, Littlechild, J.A.
Deposit date:2009-09-02
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The 2.5 Angstrom Structure of a Mu Class Gst from Fasciola Hepatica
To be Published
2WK9
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BU of 2wk9 by Molmil
Structure of Plp_Thr aldimine form of Vibrio cholerae CqsA
Descriptor: CAI-1 AUTOINDUCER SYNTHASE, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Jahan, N, Potter, J.A, Sheikh, M.A, Botting, C.H, Shirran, S.L, Westwood, N.J, Taylor, G.L.
Deposit date:2009-06-08
Release date:2009-07-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa.
J.Mol.Biol., 392, 2009
2WMB
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BU of 2wmb by Molmil
Structural and thermodynamic consequences of cyclization of peptide ligands for the recruitment site of cyclin A
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, LINEAR RKLFD, ...
Authors:Robertson, G.F, Endicott, J.A, Noble, M.E.M, McDonnell, J.M.
Deposit date:2009-06-30
Release date:2010-09-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Thermodynamic Consequences of Cyclization of Peptide Ligands for the Recruitment Site of Cyclin A
To be Published
2WUU
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BU of 2wuu by Molmil
Structure of N-myristoyltransferase from L. donovani
Descriptor: 2-oxopentadecyl-CoA, N-MYRISTOYLTRANSFERASE
Authors:Brannigan, J.A, Smith, B.A, Yu, Z, Hodgkinson, M.R, Leatherbarrow, R.J, Tate, E.W, Brzozowski, A.M, Smith, D.F, Wilkinson, A.J.
Deposit date:2009-10-09
Release date:2009-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:N-Myristoyltransferase from Leishmania Donovani: Structural and Functional Characterisation of a Potential Drug Target for Visceral Leishmaniasis.
J.Mol.Biol., 396, 2010
4WYQ
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BU of 4wyq by Molmil
Crystal structure of the Dicer-TRBP interface
Descriptor: Endoribonuclease Dicer, Poly(UNK), RISC-loading complex subunit TARBP2
Authors:Wilson, R.C, Doudna, J.A.
Deposit date:2014-11-18
Release date:2014-12-17
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Dicer-TRBP Complex Formation Ensures Accurate Mammalian MicroRNA Biogenesis.
Mol.Cell, 57, 2015
4WWH
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BU of 4wwh by Molmil
CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEG_1704, TARGET EFI-510967) WITH BOUND D-GALACTOSE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ABC transporter, beta-D-galactopyranose
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-11-11
Release date:2014-11-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEG_1704, TARGET EFI-510967) WITH BOUND D-GALACTOSE
To be published
2XBA
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BU of 2xba by Molmil
Structure of Human Anaplastic Lymphoma Kinase in complex with PHA- E429
Descriptor: 5-[(2R)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium, ALK TYROSINE KINASE RECEPTOR
Authors:Bossi, R.T, Saccardo, M.B, Ardini, E, Menichincheri, M, Rusconi, L, Magnaghi, P, Orsini, P, Fogliatto, G, Bertrand, J.A.
Deposit date:2010-04-08
Release date:2010-07-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors.
Biochemistry, 49, 2010
3G1V
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BU of 3g1v by Molmil
Crystal structure of the mutant D70G of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 5-fluorouridine 5'-monophosphate
Descriptor: 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, CHLORIDE ION, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C.
Deposit date:2009-01-30
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
3G24
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BU of 3g24 by Molmil
Crystal structure of the mutant D70N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C.
Deposit date:2009-01-30
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
2XCF
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BU of 2xcf by Molmil
Crystal structure of HCV NS3 protease with a boronate inhibitor
Descriptor: CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ...
Authors:Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E.
Deposit date:2010-04-22
Release date:2010-06-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
3GDL
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BU of 3gdl by Molmil
Crystal structure of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae complexed with 6-azauridine 5'-monophosphate
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2009-02-24
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
3GDR
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BU of 3gdr by Molmil
Crystal structure of the D91N mutant of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae
Descriptor: Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2009-02-24
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
2XIC
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BU of 2xic by Molmil
Pilus-presented adhesin, Spy0125 (Cpa), P212121 form (ESRF data)
Descriptor: ANCILLARY PROTEIN 1
Authors:Pointon, J.A, Smith, W.D, Saalbach, G, Crow, A, Kehoe, M.A, Banfield, M.J.
Deposit date:2010-06-28
Release date:2010-08-04
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Highly Unusual Thioester Bond in a Pilus Adhesin is Required for Efficient Host Cell Interaction
J.Biol.Chem., 285, 2010

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