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8F17
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BU of 8f17 by Molmil
Structure of the STUB1 TPR domain in complex with H204, an all-D Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
Deposit date:2022-11-04
Release date:2023-02-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
5EXM
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BU of 5exm by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
8F15
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BU of 8f15 by Molmil
Structure of the STUB1 TPR domain in complex with H202, an all-D Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
Deposit date:2022-11-04
Release date:2023-02-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
2QTU
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BU of 2qtu by Molmil
Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand
Descriptor: (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol, Estrogen receptor beta
Authors:Richardson, T.I, Dodge, J.A, Wang, Y, Durbin, J.D, Krishnan, V, Norman, B.H.
Deposit date:2007-08-02
Release date:2007-10-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies.
Bioorg.Med.Chem.Lett., 17, 2007
8F16
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BU of 8f16 by Molmil
Structure of the STUB1 TPR domain in complex with H203, an all-D Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
Deposit date:2022-11-04
Release date:2023-02-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
8F14
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BU of 8f14 by Molmil
Structure of the STUB1 TPR domain in complex with H201, an all-D Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
Deposit date:2022-11-04
Release date:2023-02-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
6JQM
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BU of 6jqm by Molmil
Structure of PaaZ with NADPH
Descriptor: Bifunctional protein PaaZ, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gakher, L, Vinothkumar, K.R, Katagihallimath, N, Sowdhamini, R, Sathyanarayanan, N, Cannone, G.
Deposit date:2019-03-31
Release date:2019-09-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis for metabolite channeling in a ring opening enzyme of the phenylacetate degradation pathway.
Nat Commun, 10, 2019
1IYM
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BU of 1iym by Molmil
RING-H2 finger domain of EL5
Descriptor: EL5, ZINC ION
Authors:Katoh, E, Katoh, S, Minami, E, Yamazaki, T.
Deposit date:2002-08-30
Release date:2003-07-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:High Precision NMR Structure and Function of the RING-H2 Finger Domain of EL5, a Rice Protein Whose Expression Is Increased upon Exposure to Pathogen-derived Oligosaccharides
J.Biol.Chem., 278, 2003
6V1C
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BU of 6v1c by Molmil
Crystal structure of human trefoil factor 3 in complex with its cognate ligand
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Trefoil factor 3
Authors:Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D.
Deposit date:2019-11-20
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
4ED5
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BU of 4ed5 by Molmil
Crystal structure of the two N-terminal RRM domains of HuR complexed with RNA
Descriptor: 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 5'-R(*A*UP*UP*UP*UP*UP*AP*UP*UP*UP*U)-3', ...
Authors:Wang, H, Zeng, F, Liu, Q, Niu, L, Teng, M, Li, X.
Deposit date:2012-03-27
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of the ARE-binding domains of Hu antigen R (HuR) undergoes conformational changes during RNA binding.
Acta Crystallogr.,Sect.D, 69, 2013
1JMG
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BU of 1jmg by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-13
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
1JEY
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BU of 1jey by Molmil
Crystal Structure of the Ku heterodimer bound to DNA
Descriptor: DNA (34-MER), DNA (5'-D(*GP*TP*TP*TP*TP*TP*AP*GP*TP*TP*TP*AP*TP*TP*GP*GP*GP*CP*GP*CP*G)-3'), Ku70, ...
Authors:Walker, J.R, Corpina, R.A, Goldberg, J.
Deposit date:2001-06-19
Release date:2001-08-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Ku heterodimer bound to DNA and its implications for double-strand break repair.
Nature, 412, 2001
4BAO
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BU of 4bao by Molmil
Thrombin in complex with inhibitor
Descriptor: (2S)-1-[(2R)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
6V87
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BU of 6v87 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-Hydroxytamoxifen
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen receptor
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2019-12-10
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Estrogen Receptor Alpha
To Be Published
6SWA
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BU of 6swa by Molmil
Mus musculus brain neocortex ribosome 60S bound to Ebp1
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Kraushar, M.L, Sprink, T.
Deposit date:2019-09-20
Release date:2020-09-30
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Protein Synthesis in the Developing Neocortex at Near-Atomic Resolution Reveals Ebp1-Mediated Neuronal Proteostasis at the 60S Tunnel Exit.
Mol.Cell, 81, 2021
1JCA
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BU of 1jca by Molmil
Non-standard Design of Unstable Insulin Analogues with Enhanced Activity
Descriptor: ZINC ION, insulin a, insulin b
Authors:Weiss, M.A, Wan, Z, Zhao, M, Chu, Y.-C, Nakagawa, S.H, Burke, G.T, Jia, W, Hellmich, R, Katsoyannis, P.G.
Deposit date:2001-06-08
Release date:2001-06-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
4QB2
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BU of 4qb2 by Molmil
Structure of CBM35 in complex with glucuronic acid
Descriptor: CALCIUM ION, Xyn30D, alpha-D-glucopyranuronic acid, ...
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2014-05-06
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of Glucuronoxylan-specific Xyn30D and Its Attached CBM35 Domain Gives Insights into the Role of Modularity in Specificity.
J.Biol.Chem., 289, 2014
1LO0
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BU of 1lo0 by Molmil
Catalytic Retro-Diels-Alderase Transition State Analogue Complex
Descriptor: 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID, If kappa light chain, Ig gamma 2a heavy chain
Authors:Hugot, M, Reymond, J.L, Baumann, U.
Deposit date:2002-05-05
Release date:2002-06-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Proc.Natl.Acad.Sci.USA, 99, 2002
1GVH
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BU of 1gvh by Molmil
The X-ray structure of ferric Escherichia coli flavohemoglobin reveals an unespected geometry of the distal heme pocket
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, FLAVOHEMOPROTEIN, ...
Authors:Ilari, A, Johnson, K.A, Bonamore, A, Farina, A, Boffi, A.
Deposit date:2002-02-13
Release date:2002-08-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The X-Ray Structure of Ferric Escherichia Coli Flavohemoglobin Reveals an Unexpected Geometry of the Distal Heme Pocket
J.Biol.Chem., 277, 2002
5FIV
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BU of 5fiv by Molmil
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
Descriptor: RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
Deposit date:1998-12-02
Release date:1998-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
5QDW
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BU of 5qdw by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000465a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-methoxy-N-[(1R)-1-phenylethyl]acetamide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
Deposit date:2018-08-30
Release date:2018-10-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.212 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QED
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BU of 5qed by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000538a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
Deposit date:2018-08-30
Release date:2018-10-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
1LO4
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BU of 1lo4 by Molmil
Retro-Diels-Alderase Catalytic antibody 9D9
Descriptor: If kappa light chain, Ig gamma 2a heavy chain
Authors:Hugot, M, Reymond, J.L, Baumann, U.
Deposit date:2002-05-06
Release date:2002-07-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Proc.Natl.Acad.Sci.USA, 99, 2002
1JQV
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BU of 1jqv by Molmil
The K213E mutant of Lactococcus lactis Dihydroorotate dehydrogenase A
Descriptor: ACETIC ACID, Dihydroorotate dehydrogenase A, FLAVIN MONONUCLEOTIDE, ...
Authors:Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
Deposit date:2001-08-09
Release date:2003-09-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
5QDI
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BU of 5qdi by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000157a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(2-phenylethyl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
Deposit date:2018-08-30
Release date:2018-10-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.623 Å)
Cite:An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018

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