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2AWH
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Human Nuclear Receptor-Ligand Complex 1
Descriptor: Peroxisome proliferator activated receptor delta, VACCENIC ACID, heptyl beta-D-glucopyranoside
Authors:Fyffe, S.A, Alphey, M.S, Buetow, L, Smith, T.K, Ferguson, M.A.J, Sorensen, M.D, Bjorkling, F, Hunter, W.N.
Deposit date:2005-09-01
Release date:2006-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recombinant Human PPAR-beta/delta Ligand-binding Domain is Locked in an Activated Conformation by Endogenous Fatty Acids
J.Mol.Biol., 356, 2006
1JWN
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Crystal Structure of Scapharca inaequivalvis HbI, I114F Mutant Ligated to Carbon Monoxide.
Descriptor: CARBON MONOXIDE, Globin I - Ark Shell, PROTOPORPHYRIN IX CONTAINING FE
Authors:Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E.
Deposit date:2001-09-04
Release date:2001-12-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Restricting the ligand-linked heme movement in Scapharca dimeric hemoglobin reveals tight coupling between distal and proximal contributions to cooperativity.
Biochemistry, 40, 2001
2I1P
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Solution structure of the twelfth cysteine-rich ligand-binding repeat in rat megalin
Descriptor: CALCIUM ION, Low-density lipoprotein receptor-related protein 2
Authors:Wolf, C.A, Dancea, F, Shi, M, Bade-Noskova, V, Rueterjans, H, Kerjaschki, D, Luecke, C.
Deposit date:2006-08-14
Release date:2007-02-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of the twelfth cysteine-rich ligand-binding repeat in rat megalin.
J.Biomol.Nmr, 37, 2007
6IMK
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The crystal structure of AsfvLIG:CG complex
Descriptor: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
5XCY
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Structure of the cellobiohydrolase Cel6A from Phanerochaete chrysosporium at 1.2 angstrom
Descriptor: Glucanase
Authors:Tachioka, M, Nakamura, A, Ishida, T, Igarashi, K, Samejima, M.
Deposit date:2017-03-24
Release date:2017-07-26
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Crystal structure of a family 6 cellobiohydrolase from the basidiomycete Phanerochaete chrysosporium
Acta Crystallogr F Struct Biol Commun, 73, 2017
7A9I
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Crystal structure of Coronafacic Acid Ligase from Pectobacterium brasiliense
Descriptor: 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid, Cfl, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-09-02
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery, characterization and engineering of ligases for amide synthesis.
Nature, 593, 2021
7A9J
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Crystal structure of the R395G mutant form of Coronafacic Acid Ligase from Pectobacterium brasiliense
Descriptor: 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid, Cfl, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-09-02
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery, characterization and engineering of ligases for amide synthesis.
Nature, 593, 2021
6J1Z
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WWP2 semi-open conformation
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Liu, Z.H.
Deposit date:2018-12-30
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases.
Nat Commun, 10, 2019
3GMQ
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Structure of mouse CD1d expressed in SF9 cells, no ligand added
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2 microglobulin, ...
Authors:Schiefner, A, Wilson, I.A.
Deposit date:2009-03-14
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands.
J.Mol.Biol., 394, 2009
6J1X
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WWP1 close conformation
Descriptor: GLYCEROL, NEDD4-like E3 ubiquitin-protein ligase WWP1
Authors:Liu, Z.H.
Deposit date:2018-12-30
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases.
Nat Commun, 10, 2019
1S19
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BU of 1s19 by Molmil
Crystal structure of VDR ligand binding domain complexed to calcipotriol.
Descriptor: CALCIPOTRIOL, Vitamin D3 receptor
Authors:Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Moras, D.
Deposit date:2004-01-06
Release date:2004-04-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the vitamin D nuclear receptor liganded with the vitamin D side chain analogues calcipotriol and seocalcitol, receptor agonists of clinical importance. Insights into a structural basis for the switching of calcipotriol to a receptor antagonist by further side chain modification.
J.Med.Chem., 47, 2004
2EVP
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The Structures of Thiolate- and Carboxylate-Ligated Ferric H93G Myoglobin: Models for Cytochrome P450 and for Oxyanion-Bound Heme Proteins
Descriptor: BETA-MERCAPTOETHANOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Qin, J, Perera, R, Lovelace, L.L, Dawson, J.H, Lebioda, L.
Deposit date:2005-10-31
Release date:2006-03-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of Thiolate- and Carboxylate-Ligated Ferric H93G Myoglobin: Models for Cytochrome P450 and for Oxyanion-Bound Heme Proteins(,).
Biochemistry, 45, 2006
2EVK
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BU of 2evk by Molmil
The Structures of Thiolate- and Carboxylate-Ligated Ferric H93G Myoglobin: Models for Cytochrome P450 and for Oxyanion-Bound Heme Proteins
Descriptor: ACETIC ACID, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Qin, J, Perera, R, Lovelace, L.L, Dawson, J.H, Lebioda, L.
Deposit date:2005-10-31
Release date:2006-04-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of thiolate- and carboxylate-ligated ferric H93G myoglobin: models for cytochrome P450 and for oxyanion-bound heme proteins.
Biochemistry, 45, 2006
8DP2
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BU of 8dp2 by Molmil
Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1 in complex with UMA (Uridine-5'-diphosphate-N-acetylmuramoyl-L-Alanine)
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-14
Release date:2022-08-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1 in complex with UMA (Uridine-5'-diphosphate-N-acetylmuramoyl-L-Alanine)
to be published
8WQR
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Structure of the DDB1-AMBRA1 E3 ligase receptor complex linked to cell cycle regulation
Descriptor: Activating molecule in BECN1-regulated autophagy protein 1, DNA damage-binding protein 1
Authors:Liu, M, Wang, Y, Su, M.Y, Stjepanovic, G.
Deposit date:2023-10-12
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structure of the DDB1-AMBRA1 E3 ligase receptor complex linked to cell cycle regulation.
Nat Commun, 14, 2023
3C7I
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BU of 3c7i by Molmil
X-RAY crystal structure of the complex between the grb2-sh2 domain and a flexible ligand, FPTVN.
Descriptor: FORMIC ACID, Growth factor receptor-bound protein 2, N-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamide
Authors:Benfield, A.P, Martin, S.F.
Deposit date:2008-02-07
Release date:2008-08-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ligand Preorganization May be Accompanied by Entropic Penalties in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 118, 2006
1YCB
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BU of 1ycb by Molmil
DISTAL POCKET POLARITY IN LIGAND BINDING TO MYOGLOBIN: DEOXY AND CARBONMONOXY FORMS OF A THREONINE68 (E11) MUTANT INVESTIGATED BY X-RAY CRYSTALLOGRAPHY AND INFRARED SPECTROSCOPY
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cameron, A.D, Smerdon, S.J, Wilkinson, A.J, Habash, J, Helliwell, J.R.
Deposit date:1993-08-10
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Distal pocket polarity in ligand binding to myoglobin: deoxy and carbonmonoxy forms of a threonine68(E11) mutant investigated by X-ray crystallography and infrared spectroscopy.
Biochemistry, 32, 1993
8K9I
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Structure of CUL3-RBX1-KLHL22 complex without CUL3 NA motif
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
Authors:Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y.
Deposit date:2023-08-01
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22.
Nat Commun, 15, 2024
7ULZ
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BU of 7ulz by Molmil
Crystal Structure of Methionine-tRNA ligase / Methionyl-tRNA synthetase (MetRS) from Pseudomonas aeruginosa PAO1
Descriptor: METHIONINE, Methionine--tRNA ligase, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-04-05
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Methionine-tRNA ligase / Methionyl-tRNA synthetase (MetRS) from Pseudomonas aeruginosa PAO1
to be published
1SHQ
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BU of 1shq by Molmil
Crystal structure of shrimp alkaline phosphatase with magnesium in M3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, SULFATE ION, ...
Authors:de Backer, M.M.E, McSweeney, S, Lindley, P.F, Hough, E.
Deposit date:2004-02-26
Release date:2004-08-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand-binding and metal-exchange crystallographic studies on shrimp alkaline phosphatase.
Acta Crystallogr.,Sect.D, 60, 2004
3BOV
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BU of 3bov by Molmil
Crystal structure of the receptor binding domain of mouse PD-L2
Descriptor: FORMIC ACID, Programmed cell death 1 ligand 2, SODIUM ION
Authors:Lazar-Molnar, E, Ramagopal, U, Cao, E, Toro, R, Nathenson, S.G, Almo, S.C.
Deposit date:2007-12-17
Release date:2008-07-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of the complex between programmed death-1 (PD-1) and its ligand PD-L2.
Proc.Natl.Acad.Sci.USA, 105, 2008
6DO4
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BU of 6do4 by Molmil
KLHDC2 ubiquitin ligase in complex with SelS C-end degron
Descriptor: Kelch domain-containing protein 2, SELS C-END DEGRON
Authors:Rusnac, D.V, Lin, H.C, Yen, H.C.S, Zheng, N.
Deposit date:2018-06-08
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition of the Diglycine C-End Degron by CRL2KLHDC2Ubiquitin Ligase.
Mol. Cell, 72, 2018
7JQ9
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Cryo-EM structure of human HUWE1
Descriptor: E3 ubiquitin-protein ligase HUWE1
Authors:Hunkeler, M, Fischer, E.S.
Deposit date:2020-08-10
Release date:2021-07-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Solenoid architecture of HUWE1 contributes to ligase activity and substrate recognition.
Mol.Cell, 81, 2021
1SHN
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BU of 1shn by Molmil
Crystal structure of shrimp alkaline phosphatase with phosphate bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, SULFATE ION, ...
Authors:de Backer, M.M.E, McSweeney, S, Lindley, P.F, Hough, E.
Deposit date:2004-02-26
Release date:2004-08-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Ligand-binding and metal-exchange crystallographic studies on shrimp alkaline phosphatase.
Acta Crystallogr.,Sect.D, 60, 2004
3QYO
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BU of 3qyo by Molmil
Sensitivity of receptor internal motions to ligand binding affinity and kinetic off-rate
Descriptor: CALCIUM ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Collins, E.J, Lee, A.L, Carroll, M.J, Mauldin, R.V, Gromova, A.V, Singleton, S.F.
Deposit date:2011-03-03
Release date:2012-01-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Evidence for dynamics in proteins as a mechanism for ligand dissociation.
Nat.Chem.Biol., 8, 2012

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