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4NQI
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BU of 4nqi by Molmil
Structure of the N-terminal I-BAR domain (1-259) of D.Discoideum IBARa
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, SH3 domain-containing protein
Authors:Witte, G, Faix, J, Runge-Wollmann, P.
Deposit date:2013-11-25
Release date:2014-02-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The inverse BAR domain protein IBARa drives membrane remodeling to control osmoregulation, phagocytosis and cytokinesis.
J.Cell.Sci., 127, 2014
5K98
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BU of 5k98 by Molmil
Structure of HipA-HipB-O2-O3 complex
Descriptor: Antitoxin HipB, DNA (5'-D(*CP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*GP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*CP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*G)-3'), ...
Authors:Schumacher, M.
Deposit date:2016-05-31
Release date:2016-06-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.99 Å)
Cite:HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
4X6M
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BU of 4x6m by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea
Descriptor: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea, Coagulation factor XI, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6N
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BU of 4x6n by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea
Descriptor: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea, Coagulation factor XI, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6O
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BU of 4x6o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, light chain, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4WXI
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BU of 4wxi by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide
Descriptor: 1,2-ETHANEDIOL, COAGULATION FACTOR XI, LIGHT CHAIN, ...
Authors:Wei, A.
Deposit date:2014-11-13
Release date:2015-01-28
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyridine and pyridinone-based factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4Z79
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BU of 4z79 by Molmil
Leiomodin-1 Actin-Binding Site 2 (ABS2)
Descriptor: CHLORIDE ION, GLYCEROL, Leiomodin-1 Actin-Binding Site 2 (ABS2), ...
Authors:Rebowski, G, Boczkowska, M, Dominguez, R.
Deposit date:2015-04-06
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:How Leiomodin and Tropomodulin use a common fold for different actin assembly functions.
Nat Commun, 6, 2015
4Z8G
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BU of 4z8g by Molmil
Chimera of Tropomodulin-1 and Leiomodin-1 Actin-Binding Site 2 (TL1 ABS2)
Descriptor: NICKEL (II) ION, Tropomodulin-1, Leiomodin-1 chimera (TP1 ABS2)
Authors:Boczkowska, M, Rebowski, G, Dominguez, R.
Deposit date:2015-04-08
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:How Leiomodin and Tropomodulin use a common fold for different actin assembly functions.
Nat Commun, 6, 2015
4X6P
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BU of 4x6p by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
Descriptor: (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ...
Authors:Sheriff, S.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4TL5
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BU of 4tl5 by Molmil
Crystal Structure of Human Transthyretin Ser85Pro Mutant
Descriptor: CHLORIDE ION, SODIUM ION, Transthyretin
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-05-28
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4Z45
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BU of 4z45 by Molmil
Structure of OBP3 from the currant-lettuce aphid Nasonovia ribisnigri
Descriptor: Odorant-binding protein NribOBP3
Authors:Northey, T, Venthur, H, De Biasio, F, Chauviac, F.-X, Cole, A.R, Field, L.M, Zhou, J.-J, Keep, N.H.
Deposit date:2015-04-01
Release date:2016-04-13
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal Structures and Binding Dynamics of Odorant-Binding Protein 3 from two aphid species Megoura viciae and Nasonovia ribisnigri.
Sci Rep, 6, 2016
4Z7I
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BU of 4z7i by Molmil
Crystal structure of insulin regulated aminopeptidase in complex with ligand
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DG025 transition-state analogue enzyme inhibitor, ...
Authors:Mpakali, A, Saridakis, E, Harlos, K, Zhao, Y, Stratikos, E.
Deposit date:2015-04-07
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Crystal Structure of Insulin-Regulated Aminopeptidase with Bound Substrate Analogue Provides Insight on Antigenic Epitope Precursor Recognition and Processing.
J Immunol., 195, 2015
5W4W
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BU of 5w4w by Molmil
Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
Descriptor: 4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Casein kinase I isoform delta, SULFATE ION
Authors:Liu, S.
Deposit date:2017-06-13
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification and Profiling of a Selective and Brain Penetrant Radioligand for in Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors.
ACS Chem Neurosci, 8, 2017
4TKW
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BU of 4tkw by Molmil
Crystal Structure of Human Transthyretin Leu55Pro Mutant
Descriptor: Transthyretin
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-05-27
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4TL4
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BU of 4tl4 by Molmil
Crystal Structure of Human Transthyretin Val30Met Mutant
Descriptor: Transthyretin
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-05-28
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4TNE
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BU of 4tne by Molmil
Crystal Structure of Human Transthyretin Thr119Tyr Mutant
Descriptor: GLYCEROL, Transthyretin
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-06-03
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4Z39
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BU of 4z39 by Molmil
Structure of OBP3 from the vetch aphid Megoura viciae
Descriptor: GLYCEROL, Odorant-binding protein, SULFATE ION
Authors:Northey, T, Venthur, H, De Biasio, F, Chauviac, F.-X, Cole, A.R, Field, L.M, Zhou, J.-J, Keep, N.H.
Deposit date:2015-03-31
Release date:2016-04-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structures and Binding Dynamics of Odorant-Binding Protein 3 from two aphid species Megoura viciae and Nasonovia ribisnigri.
Sci Rep, 6, 2016
4TLS
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BU of 4tls by Molmil
Crystal Structure of Human Transthyretin Glu92Pro Mutant
Descriptor: GLYCEROL, PHOSPHATE ION, SODIUM ION, ...
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-05-30
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4TLT
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BU of 4tlt by Molmil
Crystal structure of human transthyretin
Descriptor: MAGNESIUM ION, Transthyretin
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-05-30
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4YG4
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BU of 4yg4 by Molmil
HipB-O1-O1* complex
Descriptor: Antitoxin HipB, DNA (28-MER), DNA (5'-D(*AP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*A)-3')
Authors:Schumacher, M.A.
Deposit date:2015-02-25
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
4YG7
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BU of 4yg7 by Molmil
Structure of FL autorepression promoter complex
Descriptor: Antitoxin HipB, DNA (50-MER), Serine/threonine-protein kinase HipA
Authors:Schumacher, M.A.
Deposit date:2015-02-25
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
5V3Q
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BU of 5v3q by Molmil
Human GSTO1-1 complexed with ML175
Descriptor: Glutathione S-transferase omega-1, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide, SULFATE ION
Authors:Oakley, A.J.
Deposit date:2017-03-07
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:GSTO1-1 plays a pro-inflammatory role in models of inflammation, colitis and obesity.
Sci Rep, 7, 2017
4TM9
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BU of 4tm9 by Molmil
Crystal Structure of Human Transthyretin Thr119Trp Mutant
Descriptor: Transthyretin
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-05-31
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4Z94
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BU of 4z94 by Molmil
Actin Complex With a Chimera of Tropomodulin-1 and Leiomodin-1 Actin-Binding Site 2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Rebowski, G, Boczkowska, M, Dominguez, R.
Deposit date:2015-04-09
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:How Leiomodin and Tropomodulin use a common fold for different actin assembly functions.
Nat Commun, 6, 2015
4TLK
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BU of 4tlk by Molmil
Crystal Structure of Human Transthyretin Ser85Pro/Glu92Pro Mutant
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SODIUM ION, ...
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-05-30
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015

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