6DGP
 
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4FNW
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4F2Z
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5E11
 | | Second PDZ domain of Ligand of Numb protein X 2 by Laue crystallography (no electric field) | | Descriptor: | Ligand of Numb protein X 2 | | Authors: | Hekstra, D.R, White, K.I, Socolich, M.A, Henning, R.W, Srajer, V, Ranganathan, R. | | Deposit date: | 2015-09-29 | | Release date: | 2016-12-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Electric-field-stimulated protein mechanics.
Nature, 540, 2016
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5E56
 | | Crystal structure of mouse CTLA-4 | | Descriptor: | Cytotoxic T-lymphocyte protein 4, SODIUM ION | | Authors: | Fedorov, A.A, Fedorov, E.V, SAMANTA, D, Bonanno, J.B, Almo, S.C. | | Deposit date: | 2015-10-07 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.504 Å) | | Cite: | Crystal structure of mouse CTLA-4
To Be Published
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2G6W
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5E5X
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2G7N
 | | Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to small Molecule Inhibitors | | Descriptor: | Botulinum neurotoxin type A, SILVER ION, ZINC ION | | Authors: | Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P. | | Deposit date: | 2006-02-28 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Light Chain of Botulinum Neurotoxin Serotype A bound to Small Molecule Inhibitors
To be Published
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5E8L
 | | Crystal structure of geranylgeranyl pyrophosphate synthase 11 from Arabidopsis thaliana | | Descriptor: | Heterodimeric geranylgeranyl pyrophosphate synthase large subunit 1, chloroplastic | | Authors: | Wang, C, Chen, Q, Fan, D, Li, J, Wang, G, Zhang, P. | | Deposit date: | 2015-10-14 | | Release date: | 2015-11-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.807 Å) | | Cite: | Structural Analyses of Short-Chain Prenyltransferases Identify an Evolutionarily Conserved GFPPS Clade in Brassicaceae Plants.
Mol Plant, 9, 2016
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4FEE
 | | High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal B | | Descriptor: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6DMK
 | | A multiconformer ligand model of an isoxazolyl-benzimidazole ligand bound to the bromodomain of human CREBBP | | Descriptor: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, CREB-binding protein, ... | | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2018-06-05 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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2GBT
 | | C6A/C111A CuZn Superoxide dismutase | | Descriptor: | COPPER (I) ION, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Hornberg, A, Logan, D.T, Marklund, S.L, Oliveberg, M. | | Deposit date: | 2006-03-11 | | Release date: | 2007-01-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Coupling between Disulphide Status, Metallation and Dimer Interface Strength in Cu/Zn Superoxide Dismutase
J.Mol.Biol., 365, 2007
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4V0P
 | | Crystal structure of the MAGE homology domain of human MAGE-A3 | | Descriptor: | MELANOMA-ASSOCIATED ANTIGEN 3 | | Authors: | Newman, J.A, Aitkenhead, H, Cooper, C.D.O, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2014-09-17 | | Release date: | 2014-10-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding.
Plos One, 11, 2016
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4FEG
 | | High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal A | | Descriptor: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4V2S
 | | Crystal structure of Hfq in complex with the sRNA RydC | | Descriptor: | RNA-BINDING PROTEIN HFQ, RYDC | | Authors: | Dimastrogiovanni, D, Frohlich, K.S, Bruce, H.A, Bandyra, K.J, Hohensee, S, Vogel, J, Luisi, B.F. | | Deposit date: | 2014-10-14 | | Release date: | 2015-01-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.48 Å) | | Cite: | Recognition of the small regulatory RNA RydC by the bacterial Hfq protein.
Elife, 3, 2014
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4UUQ
 | | Crystal structure of human mono-glyceride lipase in complex with SAR127303 | | Descriptor: | 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE | | Authors: | Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J. | | Deposit date: | 2014-07-30 | | Release date: | 2015-01-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents.
Sci.Rep., 5, 2015
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8SFM
 | | Crystal structure of the engineered SsoPox variant IVB10 in alternate state | | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | | Deposit date: | 2023-04-11 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
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2G3T
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4V2E
 | | FLRT3 LRR domain | | Descriptor: | FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 3 | | Authors: | Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R. | | Deposit date: | 2014-10-08 | | Release date: | 2014-11-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development.
Neuron, 84, 2014
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4V39
 | | Apo-structure of alpha2,3-sialyltransferase variant 2 from Pasteurella dagmatis | | Descriptor: | SIALYLTRANSFERASE | | Authors: | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | | Deposit date: | 2014-10-17 | | Release date: | 2015-04-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign
Chem.Commun.(Camb.), 51, 2015
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2G0C
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4UUO
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2GBU
 | | C6A/C111A/C57A/C146A apo CuZn Superoxide dismutase | | Descriptor: | Superoxide dismutase [Cu-Zn] | | Authors: | Hornberg, A, Logan, D.T, Marklund, S.L, Oliveberg, M. | | Deposit date: | 2006-03-11 | | Release date: | 2007-01-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Coupling between Disulphide Status, Metallation and Dimer Interface Strength in Cu/Zn Superoxide Dismutase
J.Mol.Biol., 365, 2007
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6LAH
 | | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with lysophosphatidylcholine | | Descriptor: | (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | | Authors: | Shima, Y, Morita, D. | | Deposit date: | 2019-11-12 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structures of lysophospholipid-bound MHC class I molecules.
J.Biol.Chem., 295, 2020
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8S5B
 | | Crystal structure of the sulfoquinovosyl binding protein (SmoF) from A. tumefaciens sulfo-SMO pathway in complex with SQOctyl ligand | | Descriptor: | Sulfoquinovosyl glycerol-binding protein SmoF, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | | Authors: | Snow, A.J.D, Sharma, M, Davies, G.J. | | Deposit date: | 2024-02-23 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose.
Org.Biomol.Chem., 22, 2024
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