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7GUA
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BU of 7gua by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster18
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GUC
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BU of 7guc by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster20
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
2Z9W
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BU of 2z9w by Molmil
Crystal structure of pyridoxamine-pyruvate aminotransferase complexed with pyridoxal
Descriptor: 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, Aspartate aminotransferase, GLYCEROL, ...
Authors:Yoshikane, Y, Yokochi, N, Yamasaki, M, Mizutani, K, Ohnishi, K, Mikami, B, Hayashi, H, Yagi, T.
Deposit date:2007-09-26
Release date:2007-11-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of pyridoxamine-pyruvate aminotransferase from Mesorhizobium loti MAFF303099
J.Biol.Chem., 283, 2008
7GT7
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BU of 7gt7 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA001181b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, {2-[(oxan-4-yl)oxy]phenyl}methanol
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7PMV
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BU of 7pmv by Molmil
VWF Tubules of D1D2D'D3 domains
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:Javitt, G, Fass, D.
Deposit date:2021-09-02
Release date:2022-02-23
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Helical self-assembly of a mucin segment suggests an evolutionary origin for von Willebrand factor tubules.
Proc.Natl.Acad.Sci.USA, 119, 2022
4KBZ
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BU of 4kbz by Molmil
Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2) with (S)-{2-[2-(5-Cyano-3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetylamino}-phenyl-acetic acid
Descriptor: (2S)-({[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid, Egl nine homolog 1, FE (II) ION, ...
Authors:Kim, H.T, Hong, Y.R, Chang, H.J.
Deposit date:2013-04-24
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:

1MXJ
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BU of 1mxj by Molmil
NMR solution structure of benz[a]anthracene-dG in ras codon 12,2; GGCAGXTGGTG
Descriptor: 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL, 5'-D(*CP*AP*CP*CP*AP*CP*CP*TP*GP*CP*C)-3', 5'-D(*GP*GP*CP*AP*GP*GP*TP*GP*GP*TP*G)-3'
Authors:Kim, H.-Y.H, Wilkinson, A.S, Harris, C.M, Harris, T.M, Stone, M.P.
Deposit date:2002-10-02
Release date:2003-03-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Minor Groove Orientation for the (1S,2R,3S,4R)-N2-[1-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-benz[a]anthracenyl)]-2'-deoxyguanosyl Adduct in the N-ras Codon 12 sequence
Biochemistry, 42, 2003
7GSV
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BU of 7gsv by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000830b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(ethylamino)benzoic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7PHL
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BU of 7phl by Molmil
Human voltage-gated potassium channel Kv3.1 (with EDTA)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, POTASSIUM ION, Potassium voltage-gated channel, ...
Authors:Chi, G, Qian, P, Castro-Hartmann, P, Venkaya, S, Singh, N.K, McKinley, G, Mukhopadhyay, S.M.M, Fernandez-Cid, A, Pike, A.C.W, Marsden, B, MacLean, E.M, Sader, K, Burgess-Brown, N.A, Duerr, K.L.
Deposit date:2021-08-17
Release date:2022-03-02
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the human Kv3.1 channel reveals gating control by the cytoplasmic T1 domain.
Nat Commun, 13, 2022
7GTK
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BU of 7gtk by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000552a
Descriptor: (4R)-2-(2-hydroxyethyl)-4-methoxy-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
8TRG
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BU of 8trg by Molmil
Structure of full-length LexA bound to a RecA filament
Descriptor: DNA (27-MER), LexA repressor, MAGNESIUM ION, ...
Authors:Cory, M.B, Li, A, Kohli, R.M.
Deposit date:2023-08-09
Release date:2023-11-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:The LexA-RecA* structure reveals a cryptic lock-and-key mechanism for SOS activation.
Nat.Struct.Mol.Biol., 2024
7GTP
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BU of 7gtp by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000688a
Descriptor: (4-acetylphenoxy)acetic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
4KC5
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BU of 4kc5 by Molmil
Crystal structure of the C-terminal part of RhiE from Burkholderia rhizoxinica
Descriptor: GLYCEROL, RhiE protein
Authors:Zocher, G, Heim, J.B, Stehle, T.
Deposit date:2013-04-24
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Vinylogous chain branching catalysed by a dedicated polyketide synthase module.
Nature, 502, 2013
5DR3
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BU of 5dr3 by Molmil
Endothiapepsin in complex with fragment 333
Descriptor: 1,2-ETHANEDIOL, 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one, ACETATE ION, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
2RII
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BU of 2rii by Molmil
Crystal Structure of Human Peroxiredoxin I in complex with Sulfiredoxin
Descriptor: PHOSPHATE ION, Peroxiredoxin-1, Sulfiredoxin-1
Authors:Jonsson, T.J, Johnson, L.C, Lowther, W.T.
Deposit date:2007-10-11
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the sulphiredoxin-peroxiredoxin complex reveals an essential repair embrace.
Nature, 451, 2008
7GT3
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BU of 7gt3 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000527a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ethyl (3R,3aS,8bS)-1-acetyl-5-methyl-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrole-3-carboxylate
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GTU
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BU of 7gtu by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000297a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(2-acetylphenyl)sulfanyl]benzoic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GT9
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BU of 7gt9 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000463b
Descriptor: (3R)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbonitrile, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
4KBB
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BU of 4kbb by Molmil
Structure of Botulinum neurotoxin B binding domain in complex with both synaptotagmin II and GD1a
Descriptor: Botulinum neurotoxin type B, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Berntsson, R.P.A, Peng, L, Dong, M, Stenmark, P.
Deposit date:2013-04-23
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of dual receptor binding to botulinum neurotoxin B.
Nat Commun, 4, 2013
7GS9
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BU of 7gs9 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000631a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}-[2-(aminocarbamoyl)phenyl]ethanamide
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
2Z9G
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BU of 2z9g by Molmil
Complex structure of SARS-CoV 3C-like protease with PMA
Descriptor: 3C-like proteinase, BENZENE, MERCURY (II) ION
Authors:Lee, C.C, Wang, A.H.
Deposit date:2007-09-19
Release date:2007-12-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors.
Febs Lett., 581, 2007
7GTI
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BU of 7gti by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000571a
Descriptor: 1-{(1S,4R,5S,6R)-6-hydroxy-4-[(pyridin-2-yl)oxy]-2-azabicyclo[3.3.1]nonan-2-yl}ethan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSE
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BU of 7gse by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000383a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSH
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BU of 7gsh by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000530a
Descriptor: 2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSG
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BU of 7gsg by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000316a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl 4-sulfamoylbenzoate
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024

223790

건을2024-08-14부터공개중

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