3V0A
 
 | | 2.7 angstrom crystal structure of BoNT/Ai in complex with NTNHA | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BoNT/A, CALCIUM ION, ... | | Authors: | Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R. | | Deposit date: | 2011-12-07 | | Release date: | 2012-03-14 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Botulinum neurotoxin is shielded by NTNHA in an interlocked complex.
Science, 335, 2012
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3HFG
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6BPX
 | | Crystal structure of cysteine-bound ferrous form of the matured Cl2-Tyr157 human cysteine dioxygenase | | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | | Authors: | Liu, A, Li, J, Shin, I. | | Deposit date: | 2017-11-26 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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6BQB
 | | MGG4 Fab in complex with peptide | | Descriptor: | GLYCEROL, MGG4 Fab heavy chain, MGG4 Fab light chain, ... | | Authors: | Oyen, D, Tan, J, Lanzavecchia, A, Wilson, I.A. | | Deposit date: | 2017-11-27 | | Release date: | 2018-03-07 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.769 Å) | | Cite: | A public antibody lineage that potently inhibits malaria infection through dual binding to the circumsporozoite protein.
Nat. Med., 24, 2018
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2Q5O
 | | X-ray structure of phenylpyruvate decarboxylase in complex with 3-deaza-ThDP and phenylpyruvate | | Descriptor: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, 3-PHENYLPYRUVIC ACID, GLYCEROL, ... | | Authors: | Versees, W, Spaepen, S, Wood, M.D, Leeper, F.J, Vanderleyden, J, Steyaert, J. | | Deposit date: | 2007-06-01 | | Release date: | 2007-10-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular mechanism of allosteric substrate activation in a thiamine diphosphate-dependent decarboxylase.
J.Biol.Chem., 282, 2007
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1KQQ
 | | Solution Structure of the Dead ringer ARID-DNA Complex | | Descriptor: | 5'-D(*CP*CP*AP*CP*AP*TP*CP*AP*AP*TP*AP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*TP*AP*TP*TP*GP*AP*TP*GP*TP*GP*G)-3', DEAD RINGER PROTEIN | | Authors: | Iwahara, J, Iwahara, M, Daughdrill, G.W, Ford, J, Clubb, R.T. | | Deposit date: | 2002-01-07 | | Release date: | 2002-03-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The structure of the Dead ringer-DNA complex reveals how AT-rich interaction domains (ARIDs) recognize DNA.
EMBO J., 21, 2002
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1HT9
 | | DOMAIN SWAPPING EF-HANDS | | Descriptor: | CALBINDIN D9K, CALCIUM ION | | Authors: | Hakansson, M, Svensson, A.L, Fast, J, Linse, S. | | Deposit date: | 2000-12-29 | | Release date: | 2001-05-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | An extended hydrophobic core induces EF-hand swapping.
Protein Sci., 10, 2001
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3HJD
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6AJJ
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | | Deposit date: | 2018-08-27 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.794 Å) | | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
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2PLC
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3FON
 | | Crystal structure of the Class I MHC Molecule H-2Kwm7 with a Single Self Peptide VNDIFEAI | | Descriptor: | Beta-2-microglobulin, MHC, Peptide | | Authors: | Malashkevich, V.N, Qian, J, Jarchum, I, Yamada, T, Mikesh, L, Palmieri, E, Lund, T, Hattori, M, Shabanowitz, J, Hunt, D.F, Ramagopal, U.A, Brims, D.R, Almo, S.C, Nathenson, S.G, DiLorenzo, T.P. | | Deposit date: | 2008-12-30 | | Release date: | 2010-01-12 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Predominant occupation of the class I MHC molecule H-2Kwm7 with a single self-peptide suggests a mechanism for its diabetes-protective effect.
Int.Immunol., 22, 2010
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3MME
 | | Structure and functional dissection of PG16, an antibody with broad and potent neutralization of HIV-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PG16 HEAVY CHAIN FAB, ... | | Authors: | Pancera, M, McLellan, J, Zhou, T, Zhu, J, Kwong, P. | | Deposit date: | 2010-04-19 | | Release date: | 2010-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.97 Å) | | Cite: | Crystal structure of PG16 and chimeric dissection with somatically related PG9: structure-function analysis of two quaternary-specific antibodies that effectively neutralize HIV-1.
J.Virol., 84, 2010
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3V0B
 | | 3.9 angstrom crystal structure of BoNT/Ai in complex with NTNHA | | Descriptor: | BoNT/A, CALCIUM ION, NTNH, ... | | Authors: | Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R. | | Deposit date: | 2011-12-07 | | Release date: | 2012-03-14 | | Last modified: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Botulinum neurotoxin is shielded by NTNHA in an interlocked complex.
Science, 335, 2012
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3ME3
 | | Activator-Bound Structure of Human Pyruvate Kinase M2 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline, Pyruvate kinase isozymes M1/M2, ... | | Authors: | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-31 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
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3F6H
 | | Crystal structure of the regulatory domain of LiCMS in complexed with isoleucine - type III | | Descriptor: | Alpha-isopropylmalate synthase, ISOLEUCINE, ZINC ION | | Authors: | Zhang, P, Ma, J, Zhao, G, Ding, J. | | Deposit date: | 2008-11-06 | | Release date: | 2009-04-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular basis of the inhibitor selectivity and insights into the feedback inhibition mechanism of citramalate synthase from Leptospira interrogans
Biochem.J., 421, 2009
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1HWY
 | | BOVINE GLUTAMATE DEHYDROGENASE COMPLEXED WITH NAD AND 2-OXOGLUTARATE | | Descriptor: | 2-OXOGLUTARIC ACID, GLUTAMATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Smith, T.J, Peterson, P.E, Schmidt, T, Fang, J, Stanley, C.A. | | Deposit date: | 2001-01-10 | | Release date: | 2001-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of bovine glutamate dehydrogenase complexes elucidate the mechanism of purine regulation.
J.Mol.Biol., 307, 2001
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3QPP
 | | Structure of PDE10-inhibitor complex | | Descriptor: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Pandit, J, Marr, E.S. | | Deposit date: | 2011-02-14 | | Release date: | 2011-06-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia.
J.Med.Chem., 54, 2011
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6ASY
 | | BiP-ATP2 | | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L. | | Deposit date: | 2017-08-26 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
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3QPO
 | | Structure of PDE10-inhibitor complex | | Descriptor: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Pandit, J, Marr, E.S. | | Deposit date: | 2011-02-14 | | Release date: | 2011-06-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia.
J.Med.Chem., 54, 2011
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3V04
 | | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | | Descriptor: | 4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. | | Deposit date: | 2011-12-07 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
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3QAL
 | | Crystal Structure of Arg280Ala mutant of Catalytic subunit of cAMP-dependent Protein Kinase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein kinase inhibitor, ... | | Authors: | Yang, J, Wu, J, Steichen, J, Taylor, S.S. | | Deposit date: | 2011-01-11 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A conserved Glu-Arg salt bridge connects coevolved motifs that define the eukaryotic protein kinase fold.
J.Mol.Biol., 415, 2012
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7E7Y
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5G4Z
 | | Structural basis for carboxylic acid recognition by a Cache chemosensory domain. | | Descriptor: | Methyl-accepting chemotaxis sensory transducer with Cache sensor, TRIETHYLENE GLYCOL, UNKNOWN LIGAND | | Authors: | Brewster, J, McKellar, J.L.O, Newman, J, Peat, T.S, Gerth, M.L. | | Deposit date: | 2016-05-18 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural basis for ligand recognition by a Cache chemosensory domain that mediates carboxylate sensing in Pseudomonas syringae.
Sci Rep, 6, 2016
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3FDX
 | | Putative filament protein / universal stress protein F from Klebsiella pneumoniae. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Osipiuk, J, Volkart, L, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-11-26 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | X-ray crystal structure of putative filament protein / universal stress protein F from Klebsiella pneumoniae.
To be Published
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7E7X
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