6GOT
 
 | | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(phenethylthio)benzenesulfonamide | | Descriptor: | 4-(2-phenylethylsulfanyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Ferraroni, M, Supuran, C.T, Angeli, A. | | Deposit date: | 2018-06-04 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Synthesis of different thio-scaffolds bearing sulfonamide with subnanomolar carbonic anhydrase II and IX inhibitory properties and X-ray investigations for their inhibitory mechanism.
Bioorg. Chem., 81, 2018
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8PQX
 | | p97 (VCP) mutant - F539A state III | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | | Deposit date: | 2023-07-12 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | p97 (VCP) mutant - F539A state III
To Be Published
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6D6T
 | | Human GABA-A receptor alpha1-beta2-gamma2 subtype in complex with GABA and flumazenil, conformation B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, GAMMA-AMINO-BUTANOIC ACID, ... | | Authors: | Zhu, S, Noviello, C.M, Teng, J, Walsh Jr, R.M, Kim, J.J, Hibbs, R.E. | | Deposit date: | 2018-04-22 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | Structure of a human synaptic GABAAreceptor.
Nature, 559, 2018
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5Z80
 | | Solution structure for the 1:1 complex of a platinum(II)-based tripod bound to a hybrid-1 human telomeric G-quadruplex | | Descriptor: | 4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline, G-quadruplex DNA (26-MER) | | Authors: | Liu, W.T, Zhong, Y.F, Liu, L.Y, Zeng, W.J, Wang, F.Y, Yang, D.Z, Mao, Z.W. | | Deposit date: | 2018-01-30 | | Release date: | 2018-09-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structures of multiple G-quadruplex complexes induced by a platinum(II)-based tripod reveal dynamic binding
Nat Commun, 9, 2018
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4QMU
 | | MST3 IN COMPLEX WITH JNJ-7706621, 4-({5-AMINO-1-[(2,6-DIFLUOROPHENYL)CARBONYL]-1H-1,2,4-TRIAZOL-3-YL}AMINO)BENZENESULFONAMIDE | | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.546 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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3K2S
 | | Solution structure of double super helix model | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Apolipoprotein A-I, CHOLESTEROL | | Authors: | Wu, Z, Gogonea, V, Lee, X, Wagner, M.A, Li, X.-M, Huang, Y, Undurti, A, May, R.P, Haertlein, M, Moulin, M, Gutsche, I, Zaccai, G, Didonato, J.A, Hazen, L.S. | | Deposit date: | 2009-09-30 | | Release date: | 2010-04-07 | | Last modified: | 2024-02-21 | | Method: | SOLUTION SCATTERING | | Cite: | Double superhelix model of high density lipoprotein.
J.Biol.Chem., 284, 2009
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3KLL
 | | Crystal structure of Lactobacillus reuteri N-terminally truncated glucansucrase GTF180-maltose complex | | Descriptor: | CALCIUM ION, GLYCEROL, Glucansucrase, ... | | Authors: | Vujicic-Zagar, A, Pijning, T, Kralj, S, Eeuwema, W, Dijkhuizen, L, Dijkstra, B.W. | | Deposit date: | 2009-11-08 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes
Proc.Natl.Acad.Sci.USA, 107, 2010
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3KCS
 | | Crystal structure of PAmCherry1 in the dark state | | Descriptor: | PAmCherry1 protein | | Authors: | Malashkevich, V.N, Subach, F.V, Zencheck, W.D, Xiao, H, Filonov, G.S, Almo, S.C, Verkhusha, V.V. | | Deposit date: | 2009-10-21 | | Release date: | 2009-11-17 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Photoactivation mechanism of PAmCherry based on crystal structures of the protein in the dark and fluorescent states.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2QXS
 | | Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene | | Descriptor: | Estrogen receptor, RALOXIFENE | | Authors: | Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W. | | Deposit date: | 2007-08-12 | | Release date: | 2008-09-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
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5TRH
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3KLK
 | | Crystal structure of Lactobacillus reuteri N-terminally truncated glucansucrase GTF180 in triclinic apo- form | | Descriptor: | CALCIUM ION, GLYCEROL, Glucansucrase | | Authors: | Vujicic-Zagar, A, Pijning, T, Kralj, S, Eeuwema, W, Dijkhuizen, L, Dijkstra, B.W. | | Deposit date: | 2009-11-08 | | Release date: | 2010-11-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes
Proc.Natl.Acad.Sci.USA, 107, 2010
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1CNW
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3KCT
 | | CRYSTAL STRUCTURE OF PAmCherry1 in the photoactivated state | | Descriptor: | PAmCherry1 protein | | Authors: | Malashkevich, V.N, Subach, F.V, Zencheck, W.D, Xiao, H, Filonov, G.S, Almo, S.C, Verkhusha, V.V. | | Deposit date: | 2009-10-21 | | Release date: | 2009-11-17 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Photoactivation mechanism of PAmCherry based on crystal structures of the protein in the dark and fluorescent states.
Proc.Natl.Acad.Sci.USA, 106, 2009
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1NKW
 | | Crystal Structure Of The Large Ribosomal Subunit From Deinococcus Radiodurans | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L11, 50S ribosomal protein L13, ... | | Authors: | Harms, J.M, Schluenzen, F, Zarivach, R, Bashan, A, Gat, S, Agmon, I, Bartels, H, Franceschi, F, Yonath, A. | | Deposit date: | 2003-01-05 | | Release date: | 2003-02-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | High resolution structure of the large ribosomal subunit from a mesophilic eubacterium
Cell(Cambridge,Mass.), 107, 2001
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3KUO
 | | X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond | | Descriptor: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S. | | Deposit date: | 2009-11-27 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
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8TWV
 | | ELIC5 with Propylamine in spNW15 nanodiscs with 2:1:1 POPC:POPE:POPG | | Descriptor: | 3-AMINOPROPANE, Gamma-aminobutyric-acid receptor subunit beta-1 | | Authors: | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | | Deposit date: | 2023-08-21 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
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8TWZ
 | | ELIC with Propylamine in spNW15 nanodiscs with 2:1:1 POPC:POPE:POPG | | Descriptor: | 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel | | Authors: | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | | Deposit date: | 2023-08-21 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
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3LB4
 | | Two-site competitive inhibition in dehaloperoxidase-hemoglobin | | Descriptor: | 4-FLUOROPHENOL, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | de Serrano, V.S, Franzen, S, Thompson, M.K, Davis, M.F, Nicoletti, F.P, Howes, B.D, Smulevich, G. | | Deposit date: | 2010-01-07 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Internal binding of halogenated phenols in dehaloperoxidase-hemoglobin inhibits peroxidase function.
Biophys.J., 99, 2010
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3LB1
 | | Two-site competitive inhibition in dehaloperoxidase-hemoglobin | | Descriptor: | 4-IODOPHENOL, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | de Serrano, V.S, Franzen, S, Thompson, M.K, Davis, M.F, Niccoletti, F.P, Howes, B.D, Smulevich, G. | | Deposit date: | 2010-01-07 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Internal binding of halogenated phenols in dehaloperoxidase-hemoglobin inhibits peroxidase function.
Biophys.J., 99, 2010
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1DWT
 | | Photorelaxed horse heart MYOGLOBIN CO complex | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I. | | Deposit date: | 1999-12-12 | | Release date: | 2000-03-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin
Nature, 403, 2000
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1DXC
 | | CO complex of Myoglobin Mb-YQR at 100K | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Brunori, M, Vallone, B, Cutruzzola, F, Travaglini-Allocatelli, C, Berendzen, J, Chu, K, Sweet, R.M, Schlichting, I. | | Deposit date: | 2000-01-03 | | Release date: | 2000-04-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Role of Cavities in Protein Dynamics: Crystal Structure of a Novel Photolytic Intermediate of Myoglobin
Proc.Natl.Acad.Sci.USA, 97, 2000
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3LB2
 | | Two-site competitive inhibition in dehaloperoxidase-hemoglobin | | Descriptor: | 4-BROMOPHENOL, DEHALOPEROXIDASE A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | de Serrano, V.S, Franzen, S, Thompson, M.K, Davis, M.F, Nicoletti, F.P, Howes, B.D, Smulevich, G. | | Deposit date: | 2010-01-07 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Internal binding of halogenated phenols in dehaloperoxidase-hemoglobin inhibits peroxidase function.
Biophys.J., 99, 2010
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5VVL
 | | Cas1-Cas2 bound to full-site mimic with Ni | | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (11-MER), ... | | Authors: | Wright, A.V, Knott, G.J, Doxzen, K.D, Doudna, J.A. | | Deposit date: | 2017-05-19 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Structures of the CRISPR genome integration complex.
Science, 357, 2017
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1DWR
 | | MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH CO | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Chu, K, Vojtechovsky, J, McMahon, B.H, Sweet, R.M, Berendzen, J, Schlichting, I. | | Deposit date: | 1999-12-11 | | Release date: | 2000-03-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structure of a New Ligand Binding Intermediate in Wildtype Carbonmonoxy Myoglobin
Nature, 403, 2000
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3LJW
 | | Crystal Structure of the Second Bromodomain of Human Polybromo | | Descriptor: | ACETATE ION, Protein polybromo-1, SODIUM ION | | Authors: | Charlop-Powers, Z, Zhou, M.M, Zeng, L, Zhang, Q. | | Deposit date: | 2010-01-26 | | Release date: | 2010-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Structural insights into selective histone H3 recognition by the human Polybromo bromodomain 2.
Cell Res., 20, 2010
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