3JSW
 
 | | Human PDE9 in complex with selective inhibitor | | Descriptor: | 6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2009-09-11 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy.
J.Med.Chem., 52, 2009
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1PZL
 | | Crystal structure of HNF4a LBD in complex with the ligand and the coactivator SRC-1 peptide | | Descriptor: | Hepatocyte nuclear factor 4-alpha, MYRISTIC ACID, steroid receptor coactivator-1 | | Authors: | Duda, K, Chi, Y.-I, Dhe-paganon, S, Shoelson, S. | | Deposit date: | 2003-07-11 | | Release date: | 2004-06-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for HNF-4alpha Activation by Ligand and Coactivator Binding
J.Biol.Chem., 279, 2004
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2LK9
 | | Structure of BST-2/Tetherin Transmembrane Domain | | Descriptor: | Bone marrow stromal antigen 2 | | Authors: | Skasko, M, Wang, Y, Tian, Y, Tokarev, A, Munguia, J, Ruiz, A, Stephens, E, Opella, S, Guatelli, J. | | Deposit date: | 2011-10-07 | | Release date: | 2011-11-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | HIV-1 Vpu Protein Antagonizes Innate Restriction Factor BST-2 via Lipid-embedded Helix-Helix Interactions.
J.Biol.Chem., 287, 2012
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2A0B
 | | HISTIDINE-CONTAINING PHOSPHOTRANSFER DOMAIN OF ARCB FROM ESCHERICHIA COLI | | Descriptor: | HPT DOMAIN, ZINC ION | | Authors: | Kato, M, Mizuno, T, Shimizu, T, Hakoshima, T. | | Deposit date: | 1998-04-02 | | Release date: | 1998-06-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Refined structure of the histidine-containing phosphotransfer (HPt) domain of the anaerobic sensor kinase ArcB from Escherichia coli at 1.57 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
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2ADA
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4DBC
 | | Substrate Activation in Aspartate Aminotransferase | | Descriptor: | (E)-N-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-aspartic acid, 1,2-ETHANEDIOL, Aspartate aminotransferase, ... | | Authors: | Toney, M.D, Fisher, A.J, Griswold, W.R. | | Deposit date: | 2012-01-14 | | Release date: | 2012-12-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Ground-state electronic destabilization via hyperconjugation in aspartate aminotransferase.
J.Am.Chem.Soc., 134, 2012
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3C2M
 | | Ternary complex of DNA POLYMERASE BETA with a G:dAPCPP mismatch in the active site | | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*DCP*DCP*DGP*DAP*DCP*DGP*DGP*DCP*DGP*DCP*DAP*DTP*DCP*DAP*DGP*DC)-3'), ... | | Authors: | Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H. | | Deposit date: | 2008-01-25 | | Release date: | 2008-05-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structures of DNA polymerase beta with active-site mismatches suggest a transient abasic site intermediate during misincorporation.
Mol.Cell, 30, 2008
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4HN4
 | | Tryptophan synthase in complex with alpha aminoacrylate E(A-A) form and the F9 inhibitor in the alpha site | | Descriptor: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BICINE, ... | | Authors: | Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2012-10-18 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
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1IZZ
 | | Crystal structure of Hsp31 | | Descriptor: | Hsp31 | | Authors: | Cha, S.S, Lee, S.J. | | Deposit date: | 2002-10-16 | | Release date: | 2003-10-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal structures of human DJ-1 and Escherichia coli Hsp31, which share an evolutionarily conserved domain
J.Biol.Chem., 278, 2003
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3WXM
 | | Crystal structure of archaeal Pelota and GTP-bound EF1 alpha complex | | Descriptor: | Elongation factor 1-alpha, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kobayashi, K, Ishitani, R, Nureki, O. | | Deposit date: | 2014-08-04 | | Release date: | 2014-09-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for mRNA surveillance by archaeal Pelota and GTP-bound EF1 alpha complex
Proc.Natl.Acad.Sci.USA, 107, 2010
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4HRW
 | | Identification of function and Mechanistic insights of Guanine deaminase from Nitrosomonas europaea | | Descriptor: | 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, Cytidine and deoxycytidylate deaminase zinc-binding region, ZINC ION | | Authors: | Anand, R, Bitra, A, Bhukya, H, Tanwar, A.S. | | Deposit date: | 2012-10-29 | | Release date: | 2013-06-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Identification of function and mechanistic insights of guanine deaminase from Nitrosomonas europaea: role of the C-terminal loop in catalysis
Biochemistry, 52, 2013
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7JFN
 | | Crystal Structure of Leucine-, isoleucine-, valine-, threonine-, and alanine-binding protein from Brucella ovis, closed conformation | | Descriptor: | 1,2-ETHANEDIOL, NITRATE ION, POTASSIUM ION, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2020-07-17 | | Release date: | 2020-07-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Leucine-, isoleucine-, valine-, threonine-, and alanine-binding protein from Brucella ovis, closed conformation
to be published
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4IX9
 | | Crystal structure of subunit F of V-ATPase from S. cerevisiae | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, V-type proton ATPase subunit F | | Authors: | Basak, S, Balakrishna, A.M, Manimekalai, M.S.S, Gruber, G. | | Deposit date: | 2013-01-24 | | Release date: | 2013-03-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal and NMR structures give insights into the role and dynamics of subunit F of the eukaryotic V-ATPase from Saccharomyces cerevisiae
J.Biol.Chem., 288, 2013
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1ED9
 | | STRUCTURE OF E. COLI ALKALINE PHOSPHATASE WITHOUT THE INORGANIC PHOSPHATE AT 1.75A RESOLUTION | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Stec, B, Holtz, K.M, Kantrowitz, E.R. | | Deposit date: | 2000-01-27 | | Release date: | 2000-09-20 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A revised mechanism for the alkaline phosphatase reaction involving three metal ions.
J.Mol.Biol., 299, 2000
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1NP1
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2DWV
 | | Solution structure of the second WW domain from mouse salvador homolog 1 protein (mWW45) | | Descriptor: | Salvador homolog 1 protein | | Authors: | Ohnishi, S, Kigawa, T, Koshiba, S, Tomizawa, T, Sato, M, Tochio, N, Inoue, M, Harada, T, Watanabe, S, Guntert, P, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-08-17 | | Release date: | 2007-02-17 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an atypical WW domain in a novel beta-clam-like dimeric form
Febs Lett., 581, 2007
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3G1M
 | | EthR from Mycobacterium tuberculosis in complex with compound BDM31381 | | Descriptor: | 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | | Authors: | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | | Deposit date: | 2009-01-30 | | Release date: | 2009-07-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthetic EthR inhibitors boost antituberculous activity of ethionamide.
Nat.Med. (N.Y.), 15, 2009
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2XNS
 | | Crystal Structure Of Human G alpha i1 Bound To A Designed Helical Peptide Derived From The Goloco Motif Of RGS14 | | Descriptor: | GUANINE NUCLEOTIDE-BINDING PROTEIN G(I) SUBUNIT ALPHA-1, GUANOSINE-5'-DIPHOSPHATE, REGULATOR OF G-PROTEIN SIGNALING 14, ... | | Authors: | Bosch, D, Sammond, D.W, Butterfoss, G.L, Machius, M, Siderovski, D.P, Kuhlman, B. | | Deposit date: | 2010-08-05 | | Release date: | 2011-06-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | Computational Design of the Sequence and Structure of a Protein-Binding Peptide.
J.Am.Chem.Soc., 133, 2011
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3ZD1
 | | STRUCTURE OF THE TWO C-TERMINAL DOMAINS OF COMPLEMENT FACTOR H RELATED PROTEIN 2 | | Descriptor: | 1,2-ETHANEDIOL, COMPLEMENT FACTOR H-RELATED PROTEIN 2 | | Authors: | Caesar, J.J.E, Goicoechea de Jorge, E, Pickering, M.C, Lea, S.M. | | Deposit date: | 2012-11-23 | | Release date: | 2013-03-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dimerization of Complement Factor H-Related Proteins Modulates Complement Activation in Vivo.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1O2T
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | | Deposit date: | 2003-03-06 | | Release date: | 2003-09-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors.
J.Mol.Biol., 329, 2003
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1O30
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | | Deposit date: | 2003-03-06 | | Release date: | 2003-09-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors.
J.Mol.Biol., 329, 2003
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1O3E
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | | Deposit date: | 2003-03-06 | | Release date: | 2003-09-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors.
J.Mol.Biol., 329, 2003
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3KIP
 | | Crystal structure of type-II 3-dehydroquinase from C. albicans | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinase, type II, ... | | Authors: | Trapani, S, Schoehn, G, Navaza, J, Abergel, C. | | Deposit date: | 2009-11-02 | | Release date: | 2010-05-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Macromolecular crystal data phased by negative-stained electron-microscopy reconstructions.
Acta Crystallogr.,Sect.D, 66, 2010
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4LGP
 | | Ricin A chain bound to camelid nanobody (VHH1) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Ricin, ... | | Authors: | Rudolph, M.J, Cheung, J, Franklin, M, Burshteyn, F, Cassidy, M, Gary, E, Mantis, N. | | Deposit date: | 2013-06-28 | | Release date: | 2014-06-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Ricin Toxin's Enzymatic Subunit (RTA) in Complex with Neutralizing and Non-Neutralizing Single-Chain Antibodies.
J.Mol.Biol., 426, 2014
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3G9J
 | | GR DNA binding domain:Pal, 18bp complex-36 | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*AP*AP*AP*TP*GP*TP*TP*CP*TP*G)-3'), DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*TP*CP*TP*G)-3'), ... | | Authors: | Pufall, M.A, Yamamoto, K.R, Meijsing, S.H. | | Deposit date: | 2009-02-13 | | Release date: | 2009-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | DNA binding site sequence directs glucocorticoid receptor structure and activity.
Science, 324, 2009
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