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7GU4
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BU of 7gu4 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster11
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 (1.59 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU7
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BU of 7gu7 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster15
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 (1.7 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU9
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BU of 7gu9 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster17
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 (1.53 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
2KAW
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BU of 2kaw by Molmil
NMR structure of the mDvl1 PDZ domain in complex with its inhibitor
Descriptor: Segment polarity protein dishevelled homolog DVL-1, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
Authors:Lee, H.J, Shao, Y, Wang, N.X, Shi, D.L, Zheng, J.J.
Deposit date:2008-11-17
Release date:2009-09-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Sulindac inhibits canonical Wnt signaling by blocking the PDZ domain of the protein Dishevelled.
Angew.Chem.Int.Ed.Engl., 48, 2009
7P0X
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BU of 7p0x by Molmil
Crystal structure of Thioredoxin reductase from Brugia Malayi
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Cheng, Q, Arner, E.S.J, Williams, D.L.
Deposit date:2021-06-30
Release date:2022-04-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus.
Redox Biol, 51, 2022
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
8A65
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BU of 8a65 by Molmil
Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3
Descriptor: (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ...
Authors:Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
Deposit date:2022-06-16
Release date:2023-04-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
2KMR
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BU of 2kmr by Molmil
Solution structure of intermediate IIc of Leech-derived tryptase inhibitor, LDTI.
Descriptor: Leech-derived tryptase inhibitor C
Authors:Pantoja-Uceda, D, Santoro, J.
Deposit date:2009-08-03
Release date:2009-11-10
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Deciphering the structural basis that guides the oxidative folding of leech-derived tryptase inhibitor.
J.Biol.Chem., 284, 2009
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
8AJ2
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BU of 8aj2 by Molmil
structure of the ordered core of Knr4 (loop 189-217 deleted)
Descriptor: Structured core of Knr4
Authors:Caisso, A, Donker, E.I.M, Maveyraud, L, Zerbib, D.
Deposit date:2022-07-27
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Conserved Yeast Protein Knr4 Involved in Cell Wall Integrity Is a Multi-domain Intrinsically Disordered Protein.
J.Mol.Biol., 435, 2023
7GTZ
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BU of 7gtz by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster5
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 (1.6 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
2KN0
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BU of 2kn0 by Molmil
Solution NMR Structure of xenopus Fn14
Descriptor: Fn14
Authors:Pellegrini, M, Willen, L, Perroud, M, Krushinskie, D, Strauch, K, Cuervo, H, Sun, Y, Day, E.S, Schneider, P, Zheng, T.S.
Deposit date:2009-08-11
Release date:2011-06-29
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Structure of the extracellular domains of human and Xenopus Fn14: implications in the evolution of TWEAK and Fn14 interactions.
Febs J., 280, 2013
7GU6
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BU of 7gu6 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster14
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 (1.56 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU1
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BU of 7gu1 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster7
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 (1.59 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GUB
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BU of 7gub by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster19
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 (1.94 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7L96
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BU of 7l96 by Molmil
Connecting hydrophobic surfaces in cyclic peptides increases membrane permeability
Descriptor: Cyclic peptide LEU-DLE-LEU-LEU-DPR-N9K
Authors:Hoang, H.N.
Deposit date:2021-01-02
Release date:2023-08-09
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Connecting Hydrophobic Surfaces in Cyclic Peptides Increases Membrane Permeability.
Angew.Chem.Int.Ed.Engl., 60, 2021
4WBC
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BU of 4wbc by Molmil
2.13 A STRUCTURE OF A KUNITZ-TYPE WINGED BEAN CHYMOTRYPSIN INHIBITOR PROTEIN
Descriptor: PROTEIN (CHYMOTRYPSIN INHIBITOR), SULFATE ION
Authors:Ravichandran, S, Sen, U, Chakrabarti, C, Dattagupta, J.K.
Deposit date:1999-03-04
Release date:1999-03-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.138 Å)
Cite:Cryocrystallography of a Kunitz-type serine protease inhibitor: the 90 K structure of winged bean chymotrypsin inhibitor (WCI) at 2.13 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
2KCL
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BU of 2kcl by Molmil
Solution NMR structure of tetratricopeptide repeat domain protein SrU_0103 from Salinibacter ruber, Northeast Structural Genomics Consortium (NESG) Target SrR115C
Descriptor: Tetratricopeptide repeat domain protein
Authors:Liu, G, Rossi, P, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-22
Release date:2009-01-06
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of tetratricopeptide repeat domain protein SrU_0103 from Salinibacter ruber, Northeast Structural Genomics Consortium (NESG) Target SrR115C
To be Published
7GTY
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BU of 7gty by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster3
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 (1.54 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GTX
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BU of 7gtx by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster2
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 (1.51 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
4QXO
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BU of 4qxo by Molmil
Crystal structure of hSTING(group2) in complex with DMXAA
Descriptor: (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid, Stimulator of interferon genes protein
Authors:Gao, P, Patel, D.J.
Deposit date:2014-07-21
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Binding-Pocket and Lid-Region Substitutions Render Human STING Sensitive to the Species-Specific Drug DMXAA.
Cell Rep, 8, 2014
7GTW
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BU of 7gtw by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster1
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 (1.51 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU0
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BU of 7gu0 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster6
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 (1.66 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU2
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BU of 7gu2 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster8
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 (1.8 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
2KK0
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BU of 2kk0 by Molmil
Solution structure of dead ringer-like protein 1 (at-rich interactive domain-containing protein 3a) from homo sapiens, northeast structural genomics consortium (NESG) target hr4394c
Descriptor: AT-rich interactive domain-containing protein 3A
Authors:Liu, G, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-14
Release date:2009-07-14
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of the ARID domain of human AT-rich interactive domain-containing protein 3A: a human cancer protein interaction network target.
Proteins, 78, 2010

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