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5AVL
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BU of 5avl by Molmil
Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 32b
Descriptor: 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha
Authors:Matsui, Y, Hanzawa, H, Tamaki, K.
Deposit date:2015-06-17
Release date:2015-08-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and structure-guided optimization of tert-butyl 6-(phenoxymethyl)-3-(trifluoromethyl)benzoates as liver X receptor agonists
Bioorg.Med.Chem.Lett., 25, 2015
1DDV
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BU of 1ddv by Molmil
CRYSTAL STRUCTURE OF THE HOMER EVH1 DOMAIN WITH BOUND MGLUR PEPTIDE
Descriptor: GLGF-DOMAIN PROTEIN HOMER, METABOTROPIC GLUTAMATE RECEPTOR MGLUR5
Authors:Beneken, J, Tu, J.C, Xiao, B, Worley, P.F, Leahy, D.J.
Deposit date:1999-11-11
Release date:2000-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Homer EVH1 domain-peptide complex reveals a new twist in polyproline recognition.
Neuron, 26, 2000
1LI3
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BU of 1li3 by Molmil
T4 lysozyme mutant L99A/M102Q bound by 3-chlorophenol
Descriptor: 3-CHLOROPHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
Deposit date:2002-04-17
Release date:2002-05-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
1LI6
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BU of 1li6 by Molmil
T4 lysozyme mutant L99A/M102Q bound by 5-methylpyrrole
Descriptor: 5-METHYLPYRROLE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
Deposit date:2002-04-17
Release date:2002-05-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
2BC3
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BU of 2bc3 by Molmil
T7-tagged full-length streptavidin
Descriptor: GLYCEROL, SULFATE ION, Streptavidin
Authors:Stenkamp, R.E, Le Trong, I, Ward, T.R, Humbert, N.
Deposit date:2005-10-18
Release date:2005-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystallographic Analysis of a Full-length Streptavidin with Its C-terminal Polypeptide Bound in the Biotin Binding Site.
J.Mol.Biol., 356, 2006
1KRJ
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BU of 1krj by Molmil
Engineering Calcium-binding site into Cytochrome c Peroxidase (CcP)
Descriptor: Cytochrome c Peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bonagura, C.A, Bhaskar, B, Sundaramoorthy, M, Poulos, T.L.
Deposit date:2002-01-09
Release date:2002-01-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conversion of an engineered potassium-binding site into a calcium-selective site in cytochrome c peroxidase.
J.Biol.Chem., 274, 1999
3UGB
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BU of 3ugb by Molmil
UbcH5c~Ubiquitin Conjugate
Descriptor: GLYCEROL, Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 D3
Authors:Page, R.C, Pruneda, J.N, Klevit, R.E, Misra, S.
Deposit date:2011-11-02
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into the conformation and oligomerization of E2~ubiquitin conjugates.
Biochemistry, 51, 2012
4HWT
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BU of 4hwt by Molmil
Crystal structure of human Threonyl-tRNA synthetase bound to a novel inhibitor
Descriptor: N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, cytoplasmic, ...
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
1AX0
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BU of 1ax0 by Molmil
ERYTHRINA CORALLODENDRON LECTIN IN COMPLEX WITH N-ACTYLGALACTOSAMINE
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, LECTIN, ...
Authors:Shaanan, B, Elgavish, S.
Deposit date:1997-10-24
Release date:1998-05-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the Erythrina corallodendron lectin and of its complexes with mono- and disaccharides.
J.Mol.Biol., 277, 1998
9B5M
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BU of 9b5m by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - consensus map and model
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 2024
9B5F
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BU of 9b5f by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - cluster 1 map and model (Ub(A)/ATP/Mg)
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 2024
9B5S
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BU of 9b5s by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - cluster 4 map and model (ATP/Mg)
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 2024
9B5C
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BU of 9b5c by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - consensus map and model
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, Large ribosomal subunit protein eL40B, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 2024
9B5Q
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BU of 9b5q by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - cluster 2 map and model (ATP/Mg)
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 2024
9B5O
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BU of 9b5o by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - Ub(T) class 10 map and model from consensus
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 2024
9B5N
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BU of 9b5n by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - Ub(T) class 1 map and model from consensus
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 2024
9B5U
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BU of 9b5u by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - Ub(T) class 1 map and model from cluster 1 (ATP/Mg)
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 2024
9B5L
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BU of 9b5l by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - Ub(T) class 10 map and model from cluster 5 (Ub(A)-AMP)
Descriptor: 4-aminobutanenitrile, ADENOSINE MONOPHOSPHATE, Polyubiquitin, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 2024
9B5X
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BU of 9b5x by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - Ub(T) class 10 map and model from cluster 5 (ATP/Mg)
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 2024
9B5H
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BU of 9b5h by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - cluster 3 map and model (Ub(A)-AMP/PPi/Mg)
Descriptor: 4-aminobutanenitrile, ADENOSINE MONOPHOSPHATE, Large ribosomal subunit protein eL40B, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 2024
9B5V
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BU of 9b5v by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - Ub(T) class 10 map and model from cluster 1 (ATP/Mg)
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 2024
8I4U
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BU of 8i4u by Molmil
Cryo-EM structure of 5-subunit Smc5/6 hinge region
Descriptor: E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6
Authors:Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L.
Deposit date:2023-01-21
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (6.73 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
1G3D
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BU of 1g3d by Molmil
BOVINE BETA-TRYPSIN BOUND TO META-AMIDINO SCHIFF BASE COPPER (II) CHELATE
Descriptor: 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Toyota, E, Ng, K.K.S, Sekizaki, H, Itoh, K, Tanizawa, K, James, M.N.G.
Deposit date:2000-10-23
Release date:2001-01-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystallographic analyses of complexes between bovine beta-trypsin and Schiff base copper(II) or iron(III) chelates.
J.Mol.Biol., 305, 2001
8FFY
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BU of 8ffy by Molmil
Cryo-electron microscopy structure of human mt-SerRS in complex with mt-tRNA(UGA-TL)
Descriptor: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, Serine--tRNA ligase, mitochondrial, ...
Authors:Hirschi, M, Kuhle, B, Doerfel, L, Schimmel, P, Lander, G.
Deposit date:2022-12-11
Release date:2023-08-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for a degenerate tRNA identity code and the evolution of bimodal specificity in human mitochondrial tRNA recognition.
Nat Commun, 14, 2023
4LXB
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BU of 4lxb by Molmil
Crystal Structure Analysis of thrombin in complex with compound D58
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-1, ...
Authors:Stehlin-Gaon, C, Bocskei, Z.
Deposit date:2013-07-29
Release date:2014-06-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013

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PDB entries from 2024-09-11

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