7QSY
 
 | | Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8S8 complex | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ... | | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | | Deposit date: | 2022-01-14 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
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4EQV
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6HUP
 | | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with diazepam (Valium), GABA and megabody Mb38. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, GAMMA-AMINO-BUTANOIC ACID, ... | | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2018-10-09 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
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2OBO
 | | Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | | Descriptor: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-19 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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7QSZ
 | | Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8 complex with substitution e170N | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit | | Authors: | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | | Deposit date: | 2022-01-14 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
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6JMT
 | | Crystal structure of GIT/PIX complex | | Descriptor: | ARF GTPase-activating protein GIT2, ZINC ION, beta PIX | | Authors: | Zhu, J, Lin, L, Xia, Y, Zhang, R, Zhang, M. | | Deposit date: | 2019-03-13 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | GIT/PIX Condensates Are Modular and Ideal for Distinct Compartmentalized Cell Signaling.
Mol.Cell, 79, 2020
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3KA7
 | | Crystal Structure of an oxidoreductase from Methanosarcina mazei. Northeast Structural Genomics Consortium target id MaR208 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase | | Authors: | Seetharaman, J, Su, M, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-10-18 | | Release date: | 2009-11-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of an oxidoreductase from Methanosarcina mazei
To be Published
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7QY5
 | | Crystal structure of the S.pombe Ars2-Red1 complex. | | Descriptor: | NURS complex subunit pir2, RNA elimination defective protein Red1, ZINC ION | | Authors: | Foucher, A.E, Kadlec, J. | | Deposit date: | 2022-01-27 | | Release date: | 2022-11-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural analysis of Red1 as a conserved scaffold of the RNA-targeting MTREC/PAXT complex.
Nat Commun, 13, 2022
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4KFO
 | | Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Tosteb, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W. | | Deposit date: | 2013-04-27 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
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4E46
 | | Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA in complex with 2-propanol | | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... | | Authors: | Stsiapanava, A, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I. | | Deposit date: | 2012-03-12 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Expansion of access tunnels and active-site cavities influence activity of haloalkane dehalogenases in organic cosolvents.
Chembiochem, 14, 2013
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7BBG
 | | CRYSTAL STRUCTURE OF HLA-A2-WT1-RMF AND FAB 11D06 | | Descriptor: | Beta-2-microglobulin, Heavy chain of Fab fragment 11D06, Light chain of Fab fragment 11D06, ... | | Authors: | Bujotzek, A, Georges, G, Hanisch, L.J, Klein, C, Benz, J. | | Deposit date: | 2020-12-17 | | Release date: | 2021-10-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Targeting intracellular WT1 in AML with a novel RMF-peptide-MHC-specific T-cell bispecific antibody.
Blood, 138, 2021
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3FEE
 | | The high resolution structure of human glutamate carboxypeptidase III (GCPIII/NAALADase II) in complex with quisqualic acid | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lubkowski, J, Barinka, C, Hlouchova, K. | | Deposit date: | 2008-11-28 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III
Febs J., 276, 2009
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4TLE
 | | Crystal structure of N-terminal C1 domain of KaiC | | Descriptor: | CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | | Authors: | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | | Deposit date: | 2014-05-29 | | Release date: | 2015-07-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.936 Å) | | Cite: | Atomic-scale origins of slowness in the cyanobacterial circadian clock
Science, 349, 2015
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3ZH8
 | | A novel small molecule aPKC inhibitor | | Descriptor: | (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Kjaer, S, Purkiss, A.G, Kostelecky, B, Knowles, P.P, Soriano, E, Murray-Rust, J, McDonald, N.Q. | | Deposit date: | 2012-12-20 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.739 Å) | | Cite: | Adenosine-Binding Motif Mimicry and Cellular Effects of a Thieno[2,3-D]Pyrimidine-Based Chemical Inhibitor of Atypical Protein Kinase C Isozymes.
Biochem.J., 451, 2013
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6JP8
 | | Rabbit Cav1.1-Bay K8644 Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Huang, G, Wu, J, Yan, N. | | Deposit date: | 2019-03-26 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel.
Cell, 177, 2019
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7QVM
 | | Human Oxytocin receptor (OTR) oxytocin Gq chimera (mGoqi) complex | | Descriptor: | Antibody fragment scFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Waltenspuhl, Y, Ehrenmann, J, Vacca, S, Thom, C, Medalia, O, Pluckthun, A. | | Deposit date: | 2022-01-21 | | Release date: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structural basis for the activation and ligand recognition of the human oxytocin receptor.
Nat Commun, 13, 2022
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4KR0
 | | Complex structure of MERS-CoV spike RBD bound to CD26 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Lu, G, Hu, Y, Wang, Q, Qi, J, Gao, F, Li, Y, Zhang, Y, Zhang, W, Yuan, Y, Zhang, B, Shi, Y, Yan, J, Gao, G.F. | | Deposit date: | 2013-05-15 | | Release date: | 2013-07-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Molecular basis of binding between novel human coronavirus MERS-CoV and its receptor CD26.
Nature, 500, 2013
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2WNL
 | | CRYSTAL STRUCTURE OF APLYSIA ACHBP IN COMPLEX WITH ANABASEINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4,5,6-tetrahydro-2,3'-bipyridine, 5-amino-1-pyridin-3-ylpentan-1-one, ... | | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | | Deposit date: | 2009-07-09 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
EMBO J., 28, 2009
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3FED
 | | The high resolution structure of human glutamate carboxypeptidase III (GCPIII/NAALADase II) in complex with a transition state analog of Glu-Glu | | Descriptor: | (2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lubkowski, J, Barinka, C, Hlouchova, K. | | Deposit date: | 2008-11-28 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III
Febs J., 276, 2009
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6JCG
 | | Room temperature structure of HIV-1 Integrase catalytic core domain by serial femtosecond crystallography. | | Descriptor: | CACODYLATE ION, Integrase | | Authors: | Park, J.H, Shi, Y, Han, J, Li, X, Kim, T.H, Yun, J.H. | | Deposit date: | 2019-01-28 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers.
Int J Mol Sci, 20, 2019
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2UUP
 | | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | | Descriptor: | N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | | Authors: | Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S. | | Deposit date: | 2007-03-06 | | Release date: | 2008-03-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
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2KLK
 | | Solution structure of GB1 A34F mutant with RDC and SAXS | | Descriptor: | IMMUNOGLOBULIN G-BINDING PROTEIN G | | Authors: | Wang, J, Zuo, X, Yu, P, Byeon, I.L, Jung, J, Schwieters, C.D, Gronenborn, A.M, Wang, Y. | | Deposit date: | 2009-07-06 | | Release date: | 2009-10-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR, SOLUTION SCATTERING | | Cite: | Determination of multicomponent protein structures in solution using global orientation and shape restraints.
J.Am.Chem.Soc., 131, 2009
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4A54
 | | Structural basis of the Dcp1:Dcp2 mRNA decapping complex activation by Edc3 and Scd6 | | Descriptor: | EDC3, MRNA DECAPPING COMPLEX SUBUNIT 2 | | Authors: | Fromm, S.A, Truffault, V, Kamenz, J, Braun, J.E, Hoffmann, N.A, Izaurralde, E, Sprangers, R. | | Deposit date: | 2011-10-24 | | Release date: | 2012-02-01 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | The Structural Basis of Edc3- and Scd6-Mediated Activation of the Dcp1:Dcp2 Mrna Decapping Complex.
Embo J., 31, 2011
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2V1W
 | | Crystal structure of human LIM protein RIL (PDLIM4) PDZ domain bound to the C-terminal peptide of human alpha-actinin-1 | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PDZ AND LIM DOMAIN PROTEIN 4, ... | | Authors: | Soundararajan, M, Shrestha, L, Pike, A.C.W, Salah, E, Burgess-Brown, N, Elkins, J, Umeano, C, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D. | | Deposit date: | 2007-05-30 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unusual Binding Interactions in Pdz Domain Crystal Structures Help Explain Binding Mechanisms.
Protein Sci., 19, 2010
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6JBW
 | | Structure of Tps1/UDP complex | | Descriptor: | Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE | | Authors: | Wang, S, Zhao, Y, Wang, D, Liu, J. | | Deposit date: | 2019-01-26 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
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