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6XQ3
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BU of 6xq3 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-(((3-(4-Carboxyphenoxy)benzyl)oxy)methyl)phenyl)-1H-indole-2-carboxylic acid
Descriptor: 3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
Authors:Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
Deposit date:2020-07-09
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XQ8
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BU of 6xq8 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragments 1 & 11
Descriptor: 3-phenoxyphenol, 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, ...
Authors:Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
Deposit date:2020-07-09
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XQ5
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BU of 6xq5 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 1
Descriptor: 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
Authors:Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
Deposit date:2020-07-09
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XQ7
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BU of 6xq7 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 5
Descriptor: 5-bromo-3-methyl-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
Authors:Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
Deposit date:2020-07-09
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6RP9
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BU of 6rp9 by Molmil
Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV
Descriptor: Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ...
Authors:Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S.
Deposit date:2019-05-14
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
6XQ9
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BU of 6xq9 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragments 1 & 13
Descriptor: 4-(3-hydroxyphenoxy)benzoic acid, 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, ...
Authors:Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
Deposit date:2020-07-09
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6EQE
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BU of 6eqe by Molmil
High resolution crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis
Descriptor: CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SODIUM ION
Authors:Austin, H.P, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
Deposit date:2017-10-12
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Characterization and engineering of a plastic-degrading aromatic polyesterase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5F2T
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BU of 5f2t by Molmil
Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - C 2 space group
Descriptor: MAGNESIUM ION, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase
Authors:Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E.
Deposit date:2015-12-02
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
7SKO
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BU of 7sko by Molmil
De novo synthetic protein DIG8-CC (orthogonal space group)
Descriptor: De novo synthetic protein DIG8-CC, MAGNESIUM ION
Authors:Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
Deposit date:2021-10-21
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
6XST
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BU of 6xst by Molmil
Recombinant Beta-2-Glycoprotein I with putative membrane insertion loop
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, ...
Authors:Klenotic, P.A, Yu, E.W.Y.
Deposit date:2020-07-16
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Beta-2-Glycoprotein I and it's role in APS
To Be Published
7PZT
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BU of 7pzt by Molmil
Structure of the bacterial toxin, TecA, an asparagine deamidase from Alcaligenes faecalis.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Urea amidohydrolase
Authors:Dix, S.R, Aziz, A.A, Baker, P.J, Evans, C.A, Dickman, M.J, Farthing, R.J, King, Z.L.S, Nathan, S, Partridge, L.J, Raih, F.M, Sedelnikova, S.E, Thomas, M.S, Rice, D.W.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The structure of A. faecalis TecA provides insights into its role as an asparagine deamidase toxin which targets RhoA
To Be Published
6XQ1
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BU of 6xq1 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-((4-(4-carboxyphenoxy)benzyl)oxy)phenyl)-1H-indole-2-carboxylic acid
Descriptor: 3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
Authors:Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
Deposit date:2020-07-09
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
7Q3J
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BU of 7q3j by Molmil
Computationally designed thioredoxin subjected to stability optimizing mutations.
Descriptor: GLYCEROL, MM9
Authors:Norrild, R.K, Johansson, K.E, O'Shea, C, Lindorff-Larsen, K, Winther, J.R, Morth, J.P.
Deposit date:2021-10-27
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Increasing protein stability by inferring substitution effects from high-throughput experiments.
Cell Rep Methods, 2, 2022
6X6X
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BU of 6x6x by Molmil
Crystal structure of enzymatic binary toxin component from Clostridium difficile in complex with
Descriptor: ADP-ribosyltransferase, DIMETHYL SULFOXIDE, N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea, ...
Authors:Pozharski, E.
Deposit date:2020-05-29
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal structure of enzymatic binary toxin component from Clostridium difficile in complex with
To Be Published
6IOK
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BU of 6iok by Molmil
Cryo-EM structure of multidrug efflux pump MexAB-OprM (0 degree state)
Descriptor: Multidrug resistance protein MexA, Multidrug resistance protein MexB, Outer membrane protein OprM
Authors:Tsutsumi, K, Yonehara, R, Nakagawa, A, Yamashita, E.
Deposit date:2018-10-30
Release date:2019-04-03
Last modified:2019-04-17
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structures of the wild-type MexAB-OprM tripartite pump reveal its complex formation and drug efflux mechanism.
Nat Commun, 10, 2019
3NL3
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BU of 3nl3 by Molmil
The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes
Descriptor: MAGNESIUM ION, THIAMIN PHOSPHATE, Thiamine biosynthetic bifunctional enzyme
Authors:Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E.
Deposit date:2010-06-21
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.007 Å)
Cite:Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes .
Biochemistry, 49, 2010
7PX1
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BU of 7px1 by Molmil
Conotoxin from Conus mucronatus
Descriptor: CADMIUM ION, Conus mucronatus, IODIDE ION
Authors:Mueller, E, Hackney, C.M, Ellgaard, L, Morth, J.P.
Deposit date:2021-10-07
Release date:2022-11-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3.
Plos Biol., 21, 2023
1FE2
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BU of 1fe2 by Molmil
CRYSTAL STRUCTURE OF DIHOMO-GAMMA-LINOLEIC ACID BOUND IN THE CYCLOOXYGENASE CHANNEL OF PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE-1.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EICOSA-8,11,14-TRIENOIC ACID, PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE-1, ...
Authors:Thuresson, E.D, Malkowski, M.G, Lakkides, K.M, Smith, W.L, Garavito, R.M.
Deposit date:2000-07-20
Release date:2001-05-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mutational and X-ray crystallographic analysis of the interaction of dihomo-gamma -linolenic acid with prostaglandin endoperoxide H synthases.
J.Biol.Chem., 276, 2001
6XZ1
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BU of 6xz1 by Molmil
Conjugate of the HECT domain of HUWE1 with ubiquitin
Descriptor: HECT, UBA and WWE domain containing 1, isoform CRA_a, ...
Authors:Liu, B, Seenivasan, A, Nair, R, Chen, D, Lowe, E.D, Lorenz, S.
Deposit date:2020-01-31
Release date:2021-08-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Reconstitution and Structural Analysis of a HECT Ligase-Ubiquitin Complex via an Activity-Based Probe.
Acs Chem.Biol., 16, 2021
6X6R
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BU of 6x6r by Molmil
Crystal structure of C.difficile ribosyltransferase CDTa in complex with pCl-phenylthioDADMeImmA
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, ADP-ribosyltransferase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Pozharski, E.
Deposit date:2020-05-29
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of C.difficile ribosyltransferase CDTa in complex with pCl-phenylthioDADMeImmA
To Be Published
4LOG
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BU of 4log by Molmil
The crystal structure of the orphan nuclear receptor PNR ligand binding domain fused with MBP
Descriptor: Maltose ABC transporter periplasmic protein and NR2E3 protein chimeric construct
Authors:Tan, M.E, Zhou, X.E, Soon, F.-F, Li, X, Li, J, Yong, E.-L, Melcher, K, Xu, H.E.
Deposit date:2013-07-12
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Crystal Structure of the Orphan Nuclear Receptor NR2E3/PNR Ligand Binding Domain Reveals a Dimeric Auto-Repressed Conformation.
Plos One, 8, 2013
6UCV
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BU of 6ucv by Molmil
Cryo-EM structure of the mitochondrial TOM complex from yeast (tetramer)
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ...
Authors:Park, E, Tucker, K.
Deposit date:2019-09-17
Release date:2019-11-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structure of the mitochondrial protein-import channel TOM complex at near-atomic resolution.
Nat.Struct.Mol.Biol., 26, 2019
7JYD
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BU of 7jyd by Molmil
Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2
Descriptor: 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
Deposit date:2020-08-30
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
6U5Z
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BU of 6u5z by Molmil
Cryo-EM structure of E. coli LonA S679A
Descriptor: Lon protease
Authors:Botos, I, Lountos, G.T, Weimin, W, Wlodawer, A.
Deposit date:2019-08-28
Release date:2020-02-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of substrate-free E. coli Lon protease provides insights into the dynamics of Lon machinery
Curr Res Struct Biol, 1, 2020
1FOC
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BU of 1foc by Molmil
Cytochrome C557: improperly folded thermus thermophilus C552
Descriptor: CYTOCHROME RC557, HEME C
Authors:McRee, D.E, Williams, P.A, Fee, J.A, Bren, K.L.
Deposit date:2000-08-27
Release date:2000-11-08
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Recombinant cytochrome rC557 obtained from Escherichia coli cells expressing a truncated Thermus thermophilus cycA gene. Heme inversion in an improperly matured protein
J.Biol.Chem., 276, 2001

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