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2QOF
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BU of 2qof by Molmil
Human EphA3 kinase and juxtamembrane region, Y596F mutant
Descriptor: BETA-MERCAPTOETHANOL, Ephrin receptor
Authors:Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2007-07-20
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
2QPP
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BU of 2qpp by Molmil
Crystal structure of human heme oxygenase-2 C127A (HO-2) with bound heme
Descriptor: Heme oxygenase 2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bianchetti, C.M, Bingman, C.A, Bitto, E, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-07-24
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Comparison of Apo- and Heme-bound Crystal Structures of a Truncated Human Heme Oxygenase-2.
J.Biol.Chem., 282, 2007
2QPZ
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BU of 2qpz by Molmil
Naphthalene 1,2-dioxygenase Rieske ferredoxin
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Naphthalene 1,2-dioxygenase system ferredoxin subunit
Authors:Brown, E.N, Ramaswamy, S, Karlsson, A, Friemann, R, Parales, J.V, Parales, R, Gibson, D.T.
Deposit date:2007-07-25
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Determining Rieske cluster reduction potentials.
J.Biol.Inorg.Chem., 13, 2008
2GO8
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BU of 2go8 by Molmil
Crystal structure of YQJZ_BACSU FROM Bacillus subtilis. Northeast structural genomics TARGET SR435
Descriptor: Hypothetical protein yqjZ
Authors:Benach, J, Su, M, Jayaraman, S, Fang, Y, Xiao, R, Ma, L.-C, Cunningham, K, Wang, D, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-04-12
Release date:2006-04-25
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of YQJZ_BACSU from Bacillus subtilis. Northeast Structural Genomics TARGET SR435
To be Published
2QQO
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BU of 2qqo by Molmil
Crystal Structure of the a2b1b2 Domains from Human Neuropilin-2
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2007-07-26
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
2GWH
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BU of 2gwh by Molmil
Human Sulfotranferase SULT1C2 in complex with PAP and pentachlorophenol
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, PENTACHLOROPHENOL, Sulfotransferase 1C2, ...
Authors:Tempel, W, Pan, P.W, Dombrovski, L, Allali-Hassani, A, Vedadi, M, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-05-04
Release date:2006-05-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and chemical profiling of the human cytosolic sulfotransferases.
Plos Biol., 5, 2007
2F3O
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BU of 2f3o by Molmil
Crystal Structure of a glycyl radical enzyme from Archaeoglobus fulgidus
Descriptor: GLYCEROL, TRIETHYLENE GLYCOL, pyruvate formate-lyase 2
Authors:Lehtio, L, Goldman, A.
Deposit date:2005-11-22
Release date:2006-03-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a glycyl radical enzyme from Archaeoglobus fulgidus
J.Mol.Biol., 357, 2006
4I3M
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BU of 4i3m by Molmil
Aer2 poly-HAMP domains: L44H HAMP1 CW-lock mutant
Descriptor: Aerotaxis transducer Aer2, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Airola, M.V, Sukomon, N, Crane, B.R.
Deposit date:2012-11-26
Release date:2013-02-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:HAMP Domain Conformers That Propagate Opposite Signals in Bacterial Chemoreceptors.
Plos Biol., 11, 2013
4HPN
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BU of 4hpn by Molmil
Crystal structure of a proposed galactarolactone cycloisomerase from Agrobacterium Tumefaciens, target EFI-500704, with bound Ca, ordered loops
Descriptor: CALCIUM ION, IMIDAZOLE, NICKEL (II) ION, ...
Authors:Vetting, M.W, Bouvier, J.T, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-10-24
Release date:2012-11-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Purification, crystallization and structural elucidation of D-galactaro-1,4-lactone cycloisomerase from Agrobacterium tumefaciens involved in pectin degradation.
Acta Crystallogr F Struct Biol Commun, 72, 2016
4I3V
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BU of 4i3v by Molmil
Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetaldehyde and cofactor NAD+
Descriptor: Aldehyde dehydrogenase (NAD+), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHONOACETALDEHYDE
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
3PJB
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BU of 3pjb by Molmil
Crystal structure of red fluorescent protein eqFP578 crystallized at pH 4.0
Descriptor: GLYCEROL, Red fluorescent protein eqFP578
Authors:Pletnev, S, Pletneva, N.V, Pletnev, V.Z.
Deposit date:2010-11-09
Release date:2011-05-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystallographic study of red fluorescent protein eqFP578 and its far-red variant Katushka reveals opposite pH-induced isomerization of chromophore.
Protein Sci., 20, 2011
2QT6
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BU of 2qt6 by Molmil
Crystal Structure Determination of a Blue Laccase from Lentinus Tigrinus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ferraroni, M, Briganti, F, Scozzafava, A.
Deposit date:2007-08-01
Release date:2007-11-20
Last modified:2023-06-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a blue laccase from Lentinus tigrinus: evidences for intermediates in the molecular oxygen reductive splitting by multicopper oxidases.
Bmc Struct.Biol., 7, 2007
3PC3
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BU of 3pc3 by Molmil
Full length structure of cystathionine beta-synthase from Drosophila in complex with aminoacrylate
Descriptor: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CG1753, isoform A, ...
Authors:Koutmos, M, Smith, J.L.
Deposit date:2010-10-21
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for substrate activation and regulation by cystathionine beta-synthase (CBS) domains in cystathionine {beta}-synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
5RSC
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BU of 5rsc by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003888754
Descriptor: 7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
3PCT
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BU of 3pct by Molmil
Structure of the class C acid phosphatase from Pasteurella multocida
Descriptor: Class C acid phosphatase
Authors:Singh, H, Malinski, T.J, Reilly, T.J, Tanner, J.J.
Deposit date:2010-10-21
Release date:2011-03-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure and immunogenicity of the class C acid phosphatase from Pasteurella multocida.
Arch.Biochem.Biophys., 509, 2011
4I5E
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BU of 4i5e by Molmil
Crystal structure of Ralstonia sp. alcohol dehydrogenase in complex with NADP+
Descriptor: Alclohol dehydrogenase/short-chain dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jarasch, A, Lerchner, A, Meining, W, Schiefner, A, Skerra, A.
Deposit date:2012-11-28
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic analysis and structure-guided engineering of NADPH-dependent Ralstonia sp. Alcohol dehydrogenase toward NADH cosubstrate specificity.
Biotechnol.Bioeng., 110, 2013
4HRD
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BU of 4hrd by Molmil
Crystal structure of yeast 20S proteasome in complex with the natural product carmaphycin A
Descriptor: N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide, Proteasome component C1, Proteasome component C11, ...
Authors:Trivella, D.B.B, Stein, M, Groll, M.
Deposit date:2012-10-27
Release date:2014-01-29
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enzyme inhibition by hydroamination: design and mechanism of a hybrid carmaphycin-syringolin enone proteasome inhibitor.
Chem.Biol., 21, 2014
5RSU
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BU of 5rsu by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002055
Descriptor: Non-structural protein 3, salicylamide
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RTB
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BU of 5rtb by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006534965
Descriptor: 3-Hydroxyhippuric acid, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
2QW8
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BU of 2qw8 by Molmil
Structure of Eugenol Synthase from Ocimum basilicum
Descriptor: DI(HYDROXYETHYL)ETHER, Eugenol synthase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Louie, G.V, Noel, J.P.
Deposit date:2007-08-09
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and reaction mechanism of basil eugenol synthase.
Plos One, 2, 2007
3DPP
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BU of 3dpp by Molmil
Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form A)
Descriptor: Chaperone protein dnaK, SULFATE ION, inhibitor peptide
Authors:Roujeinikova, A.
Deposit date:2008-07-09
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric coupling between the lid and interdomain linker in DnaK revealed by inhibitor binding studies.
J.Bacteriol., 191, 2009
5RS7
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BU of 5rs7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000034618676
Descriptor: 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RTS
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BU of 5rts by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004
Descriptor: 5-phenylpyridine-3-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RSS
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BU of 5rss by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006691828
Descriptor: N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
4I7T
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BU of 4i7t by Molmil
T4 Lysozyme L99A/M102H with 2-bromo-5-hydroxybenzaldehyde bound
Descriptor: 2-HYDROXYETHYL DISULFIDE, 2-bromo-5-hydroxybenzaldehyde, ACETATE ION, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013

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