6W3W
 
 | | An enumerative algorithm for de novo design of proteins with diverse pocket structures | | Descriptor: | DENOVO NTF2, NITRATE ION | | Authors: | Bera, A.K, Basanta, B, Dimaio, F, Sankaran, B, Baker, D. | | Deposit date: | 2020-03-09 | | Release date: | 2020-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5OKL
 | | Human afamin monoclinic crystal form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Afamin, ... | | Authors: | Rupp, B, Naschberger, A, Bowler, M.W. | | Deposit date: | 2017-07-25 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural Evidence for a Role of the Multi-functional Human Glycoprotein Afamin in Wnt Transport.
Structure, 25, 2017
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4P2Z
 | | Structure of NavMS T207A/F214A | | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | | Authors: | Bagneris, C, Naylor, C.E, Wallace, B.A. | | Deposit date: | 2014-03-05 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4GET
 | | Crystal structure of biogenic amine binding protein from Rhodnius prolixus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Biogenic amine-binding protein | | Authors: | Andersen, J.F, Chang, B.W, Xu, X, Mans, B.J, Ribeiro, J.M. | | Deposit date: | 2012-08-02 | | Release date: | 2013-01-02 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi.
Acta Crystallogr.,Sect.D, 69, 2013
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2BLX
 | | HEWL before a high dose x-ray "burn" | | Descriptor: | LYSOZYME C, TETRAETHYLENE GLYCOL | | Authors: | Nanao, M.H, Ravelli, R.B. | | Deposit date: | 2005-03-08 | | Release date: | 2005-09-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
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5OED
 | | Human Rab32:GDP in complex with Salmonella GtgE C45A mutant | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GtgE, MAGNESIUM ION, ... | | Authors: | Wachtel, R, Braeuning, B, Mader, S.L, Ecker, F, Kaila, V.R.I, Groll, M, Itzen, A. | | Deposit date: | 2017-07-07 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The protease GtgE from Salmonella exclusively targets inactive Rab GTPases.
Nat Commun, 9, 2018
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1ELZ
 | | E. COLI ALKALINE PHOSPHATASE MUTANT (S102G) | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R. | | Deposit date: | 1998-02-10 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102.
J.Mol.Biol., 277, 1998
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4ZXW
 | | Crystal structure of SgcC5 protein from Streptomyces globisporus (complex with (R)-(-)-1-(2-naphthyl)-1,2-ethanediol and sucrose) | | Descriptor: | (1R)-1-(naphthalen-2-yl)ethane-1,2-diol, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, C-domain type II peptide synthetase, ... | | Authors: | Michalska, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Lohman, J, Ma, M, Rudolf, J, Chang, C.-Y, Shen, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-05-20 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Crystal structure of SgcC5 protein from Streptomyces globisporus
To Be Published
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6PEI
 | | Structure of sorbitol dehydrogenase from Sinorhizobium meliloti 1021 | | Descriptor: | Sorbitol dehydrogenase (L-iditol 2-dehydrogenase) | | Authors: | Bailey-Elkin, B.A, Kohlmeier, M.G, Oresnik, I.J, Mark, B.L. | | Deposit date: | 2019-06-20 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of the sorbitol dehydrogenase SmoS from Sinorhizobium meliloti 1021
Acta Crystallogr.,Sect.D, 77, 2021
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4PA4
 | | Structure of NavMS in complex with channel blocking compound | | Descriptor: | BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ... | | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | | Deposit date: | 2014-04-07 | | Release date: | 2014-06-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2BYP
 | | Crystal structure of Aplysia californica AChBP in complex with alpha- conotoxin ImI | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-CONOTOXIN IMI, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Hansen, S.B, Sulzenbacher, G, Huxford, T, Marchot, P, Taylor, P, Bourne, Y. | | Deposit date: | 2005-08-03 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structures of Aplysia Achbp Complexes with Nicotinic Agonists and Antagonists Reveal Distinctive Binding Interfaces and Conformations.
Embo J., 24, 2005
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6COD
 | | AtHNL enantioselectivity mutant At-A9-H7 Apo Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde | | Descriptor: | Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | | Deposit date: | 2018-03-12 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | AtHNL enantioselectivity mutants
To be published
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6W25
 | | Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with SHU9119 | | Descriptor: | CALCIUM ION, Melanocortin receptor 4,GlgA glycogen synthase,Melanocortin receptor 4, OLEIC ACID, ... | | Authors: | Yu, J, Gimenez, L.E, Hernandez, C.C, Wu, Y, Wein, A.H, Han, G.W, McClary, K, Mittal, S.R, Burdsall, K, Stauch, B, Wu, L, Stevens, S.N, Peisley, A, Williams, S.Y, Chen, V, Millhauser, G.L, Zhao, S, Cone, R.D, Stevens, R.C. | | Deposit date: | 2020-03-04 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Determination of the melanocortin-4 receptor structure identifies Ca2+as a cofactor for ligand binding.
Science, 368, 2020
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1EET
 | | HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH THE INHIBITOR MSC204 | | Descriptor: | 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Hogberg, M, Sahlberg, C, Engelhardt, P, Noreen, R, Kangasmetsa, J, Johansson, N.G, Oberg, B, Vrang, L, Zhang, H, Sahlberg, B.L, Unge, T, Lovgren, S, Fridborg, K, Backbro, K. | | Deposit date: | 2000-02-03 | | Release date: | 2001-02-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues.
J.Med.Chem., 42, 1999
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6W4P
 | | CaMKII alpha-30 Cryo-EM reconstruction - Class B | | Descriptor: | Calcium/calmodulin-dependent protein kinase type II subunit alpha | | Authors: | Chao, L.H, Stratton, M.M. | | Deposit date: | 2020-03-11 | | Release date: | 2020-07-15 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Heterogeneity in human hippocampal CaMKII transcripts reveals allosteric hub-dependent regulation.
Sci.Signal., 13, 2020
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7ZSS
 | | cryo-EM structure of D614 spike in complex with de novo designed binder | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-08 | | Release date: | 2023-03-01 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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6PEJ
 | | Structure of sorbitol dehydrogenase from Sinorhizobium meliloti 1021 bound to sorbitol | | Descriptor: | Sorbitol dehydrogenase (L-iditol 2-dehydrogenase), sorbitol | | Authors: | Bailey-Elkin, B.A, Kohlmeier, M.G, Oresnik, I.J, Mark, B.L. | | Deposit date: | 2019-06-20 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of the sorbitol dehydrogenase SmoS from Sinorhizobium meliloti 1021
Acta Crystallogr.,Sect.D, 77, 2021
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5OI1
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1EON
 | | ECORV BOUND TO 3'-S-PHOSPHOROTHIOLATE DNA AND CA2+ | | Descriptor: | ACETIC ACID, CHLORIDE ION, DNA (5'-D(*AP*AP*AP*GP*AP*(TSP)P*AP*TP*CP*TP*T)-3'), ... | | Authors: | Horton, N.C, Connolly, B.A, Perona, J.J. | | Deposit date: | 2000-03-23 | | Release date: | 2000-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibition of EcoRV Endonuclease by Deoxyribo-3'-S-phosphorothiolates: A High-Resolution X-ray Crystallographic Study
J.Am.Chem.Soc., 122, 2000
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2RKN
 | | X-ray structure of the self-defense and signaling protein DIR1 from Arabidopsis taliana | | Descriptor: | (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE, DIR1 protein, ZINC ION | | Authors: | Lascombe, M.B, Prange, T, Buhot, N, Marion, D, Bakan, B, Lamb, C. | | Deposit date: | 2007-10-17 | | Release date: | 2008-09-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure of "defective in induced resistance" protein of Arabidopsis thaliana, DIR1, reveals a new type of lipid transfer protein.
Protein Sci., 17, 2008
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1E56
 | | Crystal structure of the inactive mutant Monocot (Maize ZMGlu1) beta-glucosidase ZMGluE191D in complex with the natural substrate DIMBOA-beta-D-glucoside | | Descriptor: | 2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE, BETA-GLUCOSIDASE, beta-D-glucopyranose | | Authors: | Czjzek, M, Cicek, M, Bevan, D.R, Zamboni, V, Henrissat, B, Esen, A. | | Deposit date: | 2000-07-18 | | Release date: | 2000-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Mechanism of Substrate (Aglycone) Specificity in Beta -Glucosidases is Revealed by Crystal Structures of Mutant Maize Beta -Glucosidase- Dimboa, -Dimboaglc, and -Dhurrin Complexes
Proc.Natl.Acad.Sci.USA, 97, 2000
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7AVT
 | | Crystal structure of SOS1 in complex with compound 7 | | Descriptor: | IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | | Deposit date: | 2020-11-06 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
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7AVS
 | | Crystal structure of SOS1 in complex with compound 6 | | Descriptor: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 | | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | | Deposit date: | 2020-11-06 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
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6W2P
 | | APE1 endonuclease product complex L104R | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Freudenthal, B.D, Whitaker, A.M. | | Deposit date: | 2020-03-06 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
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2BRA
 | | Structure of N-Terminal FAD Binding motif of mouse MICAL | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, NEDD9 INTERACTING PROTEIN WITH CALPONIN HOMOLOGY AND LIM DOMAINS | | Authors: | Nadella, M, Bianchet, M.A, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2005-05-04 | | Release date: | 2005-11-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and activity of the axon guidance protein MICAL.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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