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1V2O
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BU of 1v2o by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSYI)bT.B4
Descriptor: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2M
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BU of 1v2m by Molmil
Benzamidine in complex with bovine trypsin variant X(triple.Glu)bT.A1
Descriptor: BENZAMIDINE, SULFATE ION, Trypsin
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2U
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BU of 1v2u by Molmil
Benzamidine in complex with bovine trypsin varinat X(SSAI)bT.D1
Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
Authors:Rauh, D, Klebe, G, Stubbs, M.T.
Deposit date:2003-10-17
Release date:2004-06-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
3IKR
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BU of 3ikr by Molmil
Crystal structure of alpha 1-4 mannobiose bound trimeric human lung surfactant protein D
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-mannopyranose
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2009-08-06
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural characterisation of ligand-binding determinants in human lung surfactant protein D: influence of Asp325
J.Mol.Biol., 394, 2009
3IKQ
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BU of 3ikq by Molmil
Crystal structure of alpha 1-2 mannobiose bound trimeric human lung surfactant protein D
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-mannopyranose
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2009-08-06
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural characterisation of ligand-binding determinants in human lung surfactant protein D: influence of Asp325
J.Mol.Biol., 394, 2009
2AB6
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BU of 2ab6 by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE M2-2 (E.C.2.5.1.18) complexed with S-METHYLGLUTATHIONE
Descriptor: Glutathione S-transferase Mu 2, L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE
Authors:Patskovsky, Y, Almo, S.C, Listowsky, I.
Deposit date:2005-07-14
Release date:2005-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Perturbations in the Active Site of Human Glutathione-S-Transferase M2-2 Upon Ligand Binding
To be Published
8I79
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BU of 8i79 by Molmil
Cryo-EM structure of KCTD7 in complex with Cullin3
Descriptor: BTB/POZ domain-containing protein KCTD7, Cullin-3
Authors:Jiang, W, Wang, W, Zheng, S.
Deposit date:2023-01-31
Release date:2023-07-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for the ubiquitination of G protein beta gamma subunits by KCTD5/Cullin3 E3 ligase.
Sci Adv, 9, 2023
5UXH
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BU of 5uxh by Molmil
Structure of Human POFUT1 in complex with GDP-fucose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 1, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE
Authors:Xu, X, McMillan, B, Blacklow, S.C.
Deposit date:2017-02-22
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure of human POFUT1, its requirement in ligand-independent oncogenic Notch signaling, and functional effects of Dowling-Degos mutations.
Glycobiology, 27, 2017
4UV7
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BU of 4uv7 by Molmil
The complex structure of extracellular domain of EGFR and GC1118A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EPIDERMAL GROWTH FACTOR RECEPTOR, ...
Authors:Yoo, J.H, Cho, H.S.
Deposit date:2014-08-05
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Gc1118, an Anti-Egfr Antibody with a Distinct Binding Epitope and Superior Inhibitory Activity Against High-Affinity Egfr Ligands.
Mol.Cancer Ther., 15, 2016
7C67
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BU of 7c67 by Molmil
Crystal structure of beta-glycosides-binding protein of ABC transporter in a closed state bound to cellotriose
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-21
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7C6F
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BU of 7c6f by Molmil
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in an open state
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-21
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7C71
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BU of 7c71 by Molmil
Crystal structure of beta-glycosides-binding protein (E117A) of ABC transporter in an open state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFITE ION, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-22
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7C6M
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BU of 7c6m by Molmil
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotetraose (Form I)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-21
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7C6Y
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BU of 7c6y by Molmil
Crystal structure of beta-glycosides-binding protein (W41A) of ABC transporter in an open state (Form II)
Descriptor: 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-22
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7C63
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BU of 7c63 by Molmil
Crystal structure of beta-glycosides-binding protein of ABC transporter in an open state (Form I)
Descriptor: 1,2-ETHANEDIOL, 2-HYDROXY BUTANE-1,4-DIOL, CHLORIDE ION, ...
Authors:Kanaujia, S.P, Chandravanshi, M.
Deposit date:2020-05-21
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7C6J
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BU of 7c6j by Molmil
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellobiose
Descriptor: ACETATE ION, CHLORIDE ION, SULFUR DIOXIDE, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-21
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
8FFF
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BU of 8fff by Molmil
Crystal structure of Staphylococcus aureus D-alanine D-alanine ligase enzyme in complex with acetate
Descriptor: ACETATE ION, D-alanine--D-alanine ligase
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-12-08
Release date:2024-05-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Staphylococcus aureus counters organic acid anion-mediated inhibition of peptidoglycan cross-linking through robust alanine racemase activity.
Biorxiv, 2024
7C64
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BU of 7c64 by Molmil
Crystal structure of beta-glycosides-binding protein of ABC transporter in an open state (Form II)
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CARBON DIOXIDE, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-21
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7C6T
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BU of 7c6t by Molmil
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to laminaritriose (Form I)
Descriptor: 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-22
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7C6X
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BU of 7c6x by Molmil
Crystal structure of beta-glycosides-binding protein (W41A) of ABC transporter in an open state (Form I)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-22
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7C6K
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BU of 7c6k by Molmil
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotriose (Form I)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PYROPHOSPHATE 2-, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-21
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7C6W
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BU of 7c6w by Molmil
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to laminaritetraose
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-22
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
3ZM5
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BU of 3zm5 by Molmil
CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR
Descriptor: 2,4-bis(chloranyl)-N-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE
Authors:Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S.
Deposit date:2013-02-05
Release date:2013-07-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf.
Eur.J.Med.Chem., 66C, 2013
7C66
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BU of 7c66 by Molmil
Crystal structure of beta-glycosides-binding protein of ABC transporter in a closed state bound to cellobiose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-21
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7BGX
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BU of 7bgx by Molmil
Mutant F105L of recombinant beta-lactoglobulin
Descriptor: Beta-lactoglobulin, GLYCEROL, SULFATE ION
Authors:Loch, J.I, Wrobel, P, Lewinski, K.
Deposit date:2021-01-08
Release date:2021-01-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021

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