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5PUI
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BU of 5pui by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 196)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PTE
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BU of 5pte by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 157)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
2OK1
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BU of 2ok1 by Molmil
Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 10, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-15
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
5PV3
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BU of 5pv3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 217)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PTU
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BU of 5ptu by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 172)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PVI
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BU of 5pvi by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 233)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PU9
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BU of 5pu9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 187)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PW5
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BU of 5pw5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 256)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PUQ
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BU of 5puq by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 204)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PWO
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BU of 5pwo by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 11)
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-08
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PV8
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BU of 5pv8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 222)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PVN
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BU of 5pvn by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 238)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
2OML
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BU of 2oml by Molmil
crystal structure of E. coli pseudouridine synthase RluE
Descriptor: Ribosomal large subunit pseudouridine synthase E, SULFATE ION
Authors:Pan, H, Ho, J.D, Stroud, R.M, Finer-Moore, J.
Deposit date:2007-01-22
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The Crystal Structure of E. coli rRNA Pseudouridine Synthase RluE.
J.Mol.Biol., 367, 2007
2ONY
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BU of 2ony by Molmil
Structure of hPNMT with inhibitor 7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
Descriptor: N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ...
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2007-01-24
Release date:2007-10-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
2Q66
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BU of 2q66 by Molmil
Structure of Yeast Poly(A) Polymerase with ATP and oligo(A)
Descriptor: 1,2-ETHANEDIOL, 5'-R(P*AP*AP*AP*AP*A)-3', ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Bohm, A, Balbo, P.
Deposit date:2007-06-04
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of poly(A) polymerase: structure of the enzyme-MgATP-RNA ternary complex and kinetic analysis.
Structure, 15, 2007
2Q6U
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BU of 2q6u by Molmil
SeMet-substituted form of NikD
Descriptor: BENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NikD protein
Authors:Carrell, C.J, Bruckner, R.C, Venci, D, Zhao, G, Jorns, M.S, Mathews, F.S.
Deposit date:2007-06-05
Release date:2007-07-31
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:NikD, an Unusual Amino Acid Oxidase Essential for Nikkomycin Biosynthesis: Structures of Closed and Open Forms at 1.15 and 1.90 A Resolution
Structure, 15, 2007
2Q7Q
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BU of 2q7q by Molmil
Crystal structure of Alcaligenes faecalis AADH in complex with p-chlorobenzylamine.
Descriptor: 1-(4-CHLOROPHENYL)METHANAMINE, Aralkylamine dehydrogenase heavy chain, Aralkylamine dehydrogenase light chain
Authors:Roujeinikova, A, Leys, D.
Deposit date:2007-06-07
Release date:2007-07-31
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Isotope effects reveal that para-substituted benzylamines are poor reactivity probes of the quinoprotein mechanism for aromatic amine dehydrogenase.
Biochemistry, 46, 2007
2Q8M
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BU of 2q8m by Molmil
T-like Fructose-1,6-bisphosphatase from Escherichia coli with AMP, Glucose 6-phosphate, and Fructose 1,6-bisphosphate bound
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Hines, J.K, Kruesel, C.E, Fromm, H.J, Honzatko, R.B.
Deposit date:2007-06-11
Release date:2007-06-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of Inhibited Fructose-1,6-bisphosphatase from Escherichia coli: DISTINCT ALLOSTERIC INHIBITION SITES FOR AMP AND GLUCOSE 6-PHOSPHATE AND THE CHARACTERIZATION OF A GLUCONEOGENIC SWITCH.
J.Biol.Chem., 282, 2007
2QAB
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BU of 2qab by Molmil
Crystal Structure of Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with an Ethyl Indazole Compound
Descriptor: 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL, Estrogen receptor, nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
1Z6O
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BU of 1z6o by Molmil
Crystal Structure of Trichoplusia ni secreted ferritin
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Hamburger, A.E, West Jr, A.P, Hamburger, Z.A, Hamburger, P, Bjorkman, P.J.
Deposit date:2005-03-22
Release date:2005-05-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of a secreted insect ferritin reveals a symmetrical arrangement of heavy and light chains.
J.Mol.Biol., 349, 2005
2QA6
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BU of 2qa6 by Molmil
Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
Descriptor: 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor, nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
1ZD0
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BU of 1zd0 by Molmil
Crystal structure of Pfu-542154 conserved hypothetical protein
Descriptor: MAGNESIUM ION, METHANOL, UNKNOWN ATOM OR ION, ...
Authors:Habel, J.E, Liu, Z.J, Horanyi, P.S, Florence, Q.J.T, Tempel, W, Zhou, W, Chen, L, Lee, D, Nguyen, J, Chang, S.H, Bereton, P, Izumi, M, Jenny Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2005-04-13
Release date:2005-05-17
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Pfu-542154 conserved hypothetical protein
To be Published
2QYP
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BU of 2qyp by Molmil
Orthorhombic Crystal Structure of Human Saposin C Dimer in Open Conformation
Descriptor: Proactivator polypeptide
Authors:Rossmann, M, Saenger, W, Maier, T.
Deposit date:2007-08-15
Release date:2008-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structures of human saposins C and d: implications for lipid recognition and membrane interactions.
Structure, 16, 2008
2QF2
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BU of 2qf2 by Molmil
Rat cytosolic PEPCK in complex with oxaloacetic acid and GDP.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, OXALOACETATE ION, ...
Authors:Sullivan, S.M, Holyoak, T.
Deposit date:2007-06-26
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of rat cytosolic PEPCK: insight into the mechanism of phosphorylation and decarboxylation of oxaloacetic acid.
Biochemistry, 46, 2007
2QFY
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BU of 2qfy by Molmil
Crystal structure of Saccharomyces cerevesiae mitochondrial NADP(+)-dependent isocitrate dehydrogenase in complex with a-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, Isocitrate dehydrogenase [NADP]
Authors:Peng, Y.J, Ding, J.P.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies of Saccharomyces cerevesiae mitochondrial NADP-dependent isocitrate dehydrogenase in different enzymatic states reveal substantial conformational changes during the catalytic reaction
Protein Sci., 17, 2008

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