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1XB7
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BU of 1xb7 by Molmil
X-ray structure of ERRalpha LBD in complex with a PGC-1alpha peptide at 2.5A resolution
Descriptor: IODIDE ION, Peroxisome proliferator activated receptor gamma coactivator 1 alpha, Steroid hormone receptor ERR1
Authors:Kallen, J, Schlaeppi, J.M, Bitsch, F, Filipuzzi, I, Schilb, A, Riou, V, Graham, A, Strauss, A, Geiser, M, Fournier, B.
Deposit date:2004-08-30
Release date:2004-09-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evidence for Ligand-independent Transcriptional Activation of the Human Estrogen-related Receptor {alpha} (ERR{alpha}): CRYSTAL STRUCTURE OF ERR{alpha} LIGAND BINDING DOMAIN IN COMPLEX WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR COACTIVATOR-1{alpha}
J.Biol.Chem., 279, 2004
5JPV
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BU of 5jpv by Molmil
Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactoseamine mimic
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
6FKP
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BU of 6fkp by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with H3 10-mer AA mutant peptide
Descriptor: ALA-ARG-THR-ALA-ALA-THR-ALA-ARG, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-24
Release date:2018-03-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FHU
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BU of 6fhu by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with H3 3-mer peptide
Descriptor: ALA-ARG-TAM, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-15
Release date:2018-03-21
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FI1
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BU of 6fi1 by Molmil
Crystal structure of human BAZ2B PHD zinc finger in complex with Fr23
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, ZINC ION, ~{N}-(4-aminophenyl)-2-azanyl-ethanamide
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-16
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
2J9Q
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BU of 2j9q by Molmil
A novel conformation for the TPR domain of pex5p
Descriptor: PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR, STRONTIUM ION
Authors:Stanley, W.A, Wilmanns, M, Kursula, P.
Deposit date:2006-11-15
Release date:2007-04-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A Previously Unobserved Conformation for the Human Pex5P Receptor Suggests Roles for Intrinsic Flexibility and Rigid Domain Motions in Ligand Binding
Bmc Struct.Biol., 7, 2007
7UPQ
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BU of 7upq by Molmil
Crystal structure of designed heterotrimeric assembly DHT03_1arm_A21/B/C
Descriptor: DHT03 protein A, DHT03 protein B, DHT03 protein C
Authors:Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:2022-04-16
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022
1W9S
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BU of 1w9s by Molmil
Structure of a beta-1,3-glucan binding CBM6 from Bacillus halodurans
Descriptor: BH0236 PROTEIN, GLYCEROL, SODIUM ION
Authors:Boraston, A.B, van Bueren, A.L.
Deposit date:2004-10-18
Release date:2004-11-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Family 6 Carbohydrate Binding Modules Recognize the Non-Reducing End of Beta-1,3-Linked Glucans by Presenting a Unique Ligand Binding Surface
J.Biol.Chem., 280, 2005
1W9T
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BU of 1w9t by Molmil
Structure of a beta-1,3-glucan binding CBM6 from Bacillus halodurans in complex with xylobiose
Descriptor: BH0236 PROTEIN, SODIUM ION, alpha-D-xylopyranose, ...
Authors:Boraston, A.B, van Bueren, A.L.
Deposit date:2004-10-18
Release date:2004-11-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Family 6 Carbohydrate Binding Modules Recognize the Non-Reducing End of Beta-1,3-Linked Glucans by Presenting a Unique Ligand Binding Surface
J.Biol.Chem., 280, 2005
7UPO
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BU of 7upo by Molmil
Crystal structure of designed heterotrimeric assembly DHT03
Descriptor: DHT03 protein A, DHT03 protein B, DHT03 protein C
Authors:Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:2022-04-16
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022
7UPP
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BU of 7upp by Molmil
Crystal structure of designed heterotrimeric assembly DHT03_2arm_A21/B21/C long
Descriptor: DHT03 protein A, DHT03 protein B, DHT03 protein C
Authors:Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:2022-04-16
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022
3UIW
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BU of 3uiw by Molmil
Zebrafish Grx2 (APO)
Descriptor: GLUTATHIONE, Glutaredoxin 2, SULFATE ION
Authors:McDonough, M.A, Johansson, C.
Deposit date:2011-11-06
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:A New Mode of Iron-sulfur Cluster Coordination in Glutaredoxins is Crucial for Axonogenesis
To be Published
6IAL
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BU of 6ial by Molmil
Porcine E.coli heat-labile enterotoxin B-pentamer in complex with Lacto-N-neohexaose
Descriptor: CALCIUM ION, GLYCEROL, Heat-labile enterotoxin B chain, ...
Authors:Heim, J.B, Heggelund, J.E, Krengel, U.
Deposit date:2018-11-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Specificity ofEscherichia coliHeat-Labile Enterotoxin Investigated by Single-Site Mutagenesis and Crystallography.
Int J Mol Sci, 20, 2019
3DTV
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BU of 3dtv by Molmil
Crystal structure of arylmalonate decarboxylase
Descriptor: Arylmalonate decarboxylase, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Nakasako, M, Obata, R, Miyamaoto, K, Ohta, H.
Deposit date:2008-07-16
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Inverting the Enantioselectivity of Arylmalonate Decarboxylase Revealed by the Structural Analysis of the Gly74Cys/Cys188Ser Mutant in the Liganded Form
Biochemistry, 49, 2010
6ISC
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BU of 6isc by Molmil
complex structure of mCD226-ecto and hCD155-D1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CD226 antigen, Poliovirus receptor
Authors:Wang, H, Qi, J, Zhang, S, Li, Y, Tan, S, Gao, G.F.
Deposit date:2018-11-16
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
1HEX
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BU of 1hex by Molmil
STRUCTURE OF 3-ISOPROPYLMALATE DEHYDROGENASE IN COMPLEX WITH NAD+: LIGAND-INDUCED LOOP-CLOSING AND MECHANISM FOR COFACTOR SPECIFICITY
Descriptor: 3-ISOPROPYLMALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hurley, J.H.
Deposit date:1994-09-09
Release date:1994-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of 3-isopropylmalate dehydrogenase in complex with NAD+: ligand-induced loop closing and mechanism for cofactor specificity.
Structure, 2, 1994
6ISA
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BU of 6isa by Molmil
mCD226
Descriptor: CD226 antigen
Authors:Wang, H, Qi, J, Zhang, S, Li, Y, Tan, S, Gao, G.F.
Deposit date:2018-11-16
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3WS3
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BU of 3ws3 by Molmil
Crystal Structure of H-2D in complex with an insulin derived peptide
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Kumar, P.R, Mukherjee, G, Samanta, D, DiLorenzo, T.P, Almo, S.C, Immune Function Network, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-02-28
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.335 Å)
Cite:Compensatory mechanisms allow undersized anchor-deficient class I MHC ligands to mediate pathogenic autoreactive T cell responses
J. Immunol., 193, 2014
1S4I
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BU of 1s4i by Molmil
Crystal structure of a SOD-like protein from Bacillus subtilis
Descriptor: CHLORIDE ION, ZINC ION, superoxide dismutase-like protein yojM
Authors:Banci, L, Bertini, I, Calderone, V, Cramaro, F, Del Conte, R, Fantoni, A, Mangani, S, Quattrone, A, Viezzoli, M.S.
Deposit date:2004-01-16
Release date:2005-04-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A prokaryotic superoxide dismutase paralog lacking two Cu ligands: from largely unstructured in solution to ordered in the crystal.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2FE6
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BU of 2fe6 by Molmil
P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX
Descriptor: Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING MN
Authors:von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I.
Deposit date:2005-12-15
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The status of high-valent metal oxo complexes in the P450 cytochromes.
J.Inorg.Biochem., 100, 2006
6W25
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BU of 6w25 by Molmil
Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with SHU9119
Descriptor: CALCIUM ION, Melanocortin receptor 4,GlgA glycogen synthase,Melanocortin receptor 4, OLEIC ACID, ...
Authors:Yu, J, Gimenez, L.E, Hernandez, C.C, Wu, Y, Wein, A.H, Han, G.W, McClary, K, Mittal, S.R, Burdsall, K, Stauch, B, Wu, L, Stevens, S.N, Peisley, A, Williams, S.Y, Chen, V, Millhauser, G.L, Zhao, S, Cone, R.D, Stevens, R.C.
Deposit date:2020-03-04
Release date:2020-04-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Determination of the melanocortin-4 receptor structure identifies Ca2+as a cofactor for ligand binding.
Science, 368, 2020
3WS6
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BU of 3ws6 by Molmil
Crystal Structure of H-2D in complex with a mimotopic peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Kumar, P.R, Mukherjee, G, Samanta, D, DiLorenzo, T.P, Almo, S.C, Immune Function Network, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-02-28
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Compensatory mechanisms allow undersized anchor-deficient class I MHC ligands to mediate pathogenic autoreactive T cell responses
J. Immunol., 193, 2014
6FI0
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BU of 6fi0 by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with Fr 19
Descriptor: 2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-16
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
5AEN
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BU of 5aen by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor dimethyl(2- (4-phenoxyphenoxy)ethyl)amine
Descriptor: IMIDAZOLE, LEUKOTRIENE A-4 HYDROLASE, N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine, ...
Authors:Moser, D, Wittmann, S.K, Kramer, J, Blocher, R, Achenbach, J, Pogoryelov, D, Proschak, E.
Deposit date:2015-01-06
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.864 Å)
Cite:Peng: A Neural Gas-Based Approach for Pharmacophore Elucidation. Method Design, Validation and Virtual Screening for Novel Ligands of Lta4H.
J.Chem.Inf.Model., 55, 2015
6FHQ
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BU of 6fhq by Molmil
Crystal structure of human BAZ2B PHD zinc finger in complex with Fr 21
Descriptor: 2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide, Bromodomain adjacent to zinc finger domain protein 2B, ZINC ION
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-15
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018

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