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7YYV
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BU of 7yyv by Molmil
Molecular snapshots of drug release from tubulin: 1 nanosecond after photoactivation.
Descriptor: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ1
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BU of 7yz1 by Molmil
Molecular snapshots of drug release from tubulin: 1 millisecond after photoactivation.
Descriptor: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7Z98
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BU of 7z98 by Molmil
Crystal structure of F191M variant Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfide
Descriptor: (methylsulfanyl)benzene, 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kratky, J, Weisse, R, Strater, N.
Deposit date:2022-03-20
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YYZ
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BU of 7yyz by Molmil
Molecular snapshots of drug release from tubulin: 10 microseconds after photoactivation.
Descriptor: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7ZCA
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BU of 7zca by Molmil
Crystal structure of the F191M/F201A variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with benzyl phenyl sulfoxide
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein), ...
Authors:Kratky, J, Weisse, R, Strater, N.
Deposit date:2022-03-26
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7Z99
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BU of 7z99 by Molmil
Crystal structure of F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfoxide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein), [(S)-methylsulfinyl]benzene
Authors:Kratky, J, Weisse, R, Strater, N.
Deposit date:2022-03-20
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YZ0
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BU of 7yz0 by Molmil
Molecular snapshots of drug release from tubulin: 100 microseconds after photoactivation.
Descriptor: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YYY
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BU of 7yyy by Molmil
Molecular snapshots of drug release from tubulin: 1 microsecond after photoactivation
Descriptor: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7Z97
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BU of 7z97 by Molmil
Crystal structure of the F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with 6-bromoindole
Descriptor: 1,2-ETHANEDIOL, 6-bromo-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kratky, J, Weisse, R, Strater, N.
Deposit date:2022-03-20
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YZ3
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BU of 7yz3 by Molmil
Molecular snapshots of drug release from tubulin: Apo state
Descriptor: CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YYQ
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BU of 7yyq by Molmil
Molecular snapshots of drug release from tubulin: Dark state
Descriptor: Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
3LK2
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BU of 3lk2 by Molmil
Crystal structure of CapZ bound to the uncapping motif from CARMIL
Descriptor: F-actin-capping protein subunit alpha-1, F-actin-capping protein subunit beta isoforms 1 and 2, Leucine-rich repeat-containing protein 16A
Authors:Hernandez-Valladares, M, Kim, T, Kannan, B, Tung, A, Aguda, A.H, Larsson, M, Cooper, J.A, Robinson, R.C.
Deposit date:2010-01-27
Release date:2010-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural characterization of a capping protein interaction motif defines a family of actin filament regulators.
Nat.Struct.Mol.Biol., 17, 2010
3L9Q
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BU of 3l9q by Molmil
Crystal structure of human polymerase alpha-primase p58 iron-sulfur cluster domain
Descriptor: DNA primase large subunit, IRON/SULFUR CLUSTER, SULFATE ION
Authors:Vaithiyalingam, S, Eichman, B.F, Chazin, W.J.
Deposit date:2010-01-05
Release date:2010-07-14
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Insights into eukaryotic DNA priming from the structure and functional interactions of the 4Fe-4S cluster domain of human DNA primase.
Proc.Natl.Acad.Sci.USA, 107, 2010
3DOE
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BU of 3doe by Molmil
Complex of ARL2 and BART, Crystal Form 1
Descriptor: ADP-ribosylation factor-like protein 2, ADP-ribosylation factor-like protein 2-binding protein, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, T, Li, S, Ding, J.
Deposit date:2008-07-04
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the ARL2-GTP-BART complex reveals a novel recognition and binding mode of small GTPase with effector
Structure, 17, 2009
3DS9
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BU of 3ds9 by Molmil
A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate
Descriptor: Botulinum neurotoxin type A, NICKEL (II) ION, ZINC ION, ...
Authors:Zuniga, J.E, Fenn, T.
Deposit date:2008-07-11
Release date:2008-09-30
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has a Very Different Conformation than SNAP-25 Substrate
Structure, 16, 2008
3DDA
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BU of 3dda by Molmil
Crystal structure of the catalytic domain of Botulinum neurotoxin serotype a with a snap-25 peptide
Descriptor: Botulinum neurotoxin A light chain, SULFATE ION, Synaptosomal-associated protein 25, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2008-06-05
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate binding mode and its implication on drug design for botulinum neurotoxin A
Plos Pathog., 4, 2008
3LCS
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BU of 3lcs by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
Descriptor: ALK tyrosine kinase receptor, GLYCEROL, STAUROSPORINE
Authors:Lee, C.C.
Deposit date:2010-01-11
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
3LSF
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BU of 3lsf by Molmil
Piracetam bound to the ligand binding domain of GluA2
Descriptor: 2-(2-oxopyrrolidin-1-yl)acetamide, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Ahmed, A.H, Ptak, C.P, Oswald, R.E.
Deposit date:2010-02-12
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors.
J.Med.Chem., 53, 2010
7Z3B
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BU of 7z3b by Molmil
Crystal structure of the cupredoxin AcoP from Acidithiobacillus ferrooxidans, reduced form
Descriptor: ACETATE ION, AcoP, COPPER (I) ION, ...
Authors:Leone, P, Sciara, G, Ilbert, M.
Deposit date:2022-03-02
Release date:2023-09-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features.
Dalton Trans, 53, 2024
3LSL
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BU of 3lsl by Molmil
Piracetam bound to the ligand binding domain of GluA2 (flop form)
Descriptor: 2-(2-oxopyrrolidin-1-yl)acetamide, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Ahmed, A.H, Oswald, R.E.
Deposit date:2010-02-12
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.122 Å)
Cite:Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors.
J.Med.Chem., 53, 2010
7ZOZ
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BU of 7zoz by Molmil
Crystal structure of Siglec-15 in complex with Fab
Descriptor: Anti-Siglec 15 Fab HC, Anti-Siglec 15 Fab LC, Sialic acid-binding Ig-like lectin 15
Authors:Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J.
Deposit date:2022-04-26
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b.
Nat Commun, 14, 2023
3DND
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BU of 3dnd by Molmil
cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24
Descriptor: 5-benzyl-1,3-thiazol-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Schiffer, A, Wendt, K.U.
Deposit date:2008-07-02
Release date:2009-06-23
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystallography-independent determination of ligand binding modes
Angew.Chem.Int.Ed.Engl., 47, 2008
7ZOR
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BU of 7zor by Molmil
Crystal structure of anti-Siglec-15 Fab
Descriptor: Anti-siglec15 FAB HC, Anti-siglec15 FAB LC
Authors:Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J.
Deposit date:2022-04-26
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.933 Å)
Cite:Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b.
Nat Commun, 14, 2023
3DOF
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BU of 3dof by Molmil
Complex of ARL2 and BART, Crystal Form 2
Descriptor: ADP-ribosylation factor-like protein 2, ADP-ribosylation factor-like protein 2-binding protein, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, T, Li, S, Ding, J.
Deposit date:2008-07-04
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the ARL2-GTP-BART complex reveals a novel recognition and binding mode of small GTPase with effector
Structure, 17, 2009
3DQB
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BU of 3dqb by Molmil
Crystal structure of the active G-protein-coupled receptor opsin in complex with a C-terminal peptide derived from the Galpha subunit of transducin
Descriptor: 11meric peptide form Guanine nucleotide-binding protein G(t) subunit alpha-1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, ...
Authors:Scheerer, P, Park, J.H, Hildebrand, P.W, Kim, Y.J, Krauss, N, Choe, H.-W, Hofmann, K.P, Ernst, O.P.
Deposit date:2008-07-09
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of opsin in its G-protein-interacting conformation
Nature, 455, 2008

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