6QUZ
 
 | | Structure of ATPgS-bound outward-facing TM287/288 in complex with sybody Sb_TM35 | | Descriptor: | ABC transporter, ATP-binding protein, MAGNESIUM ION, ... | | Authors: | Hutter, C.A.J, Huerlimann, L.M, Zimmermann, I, Egloff, P, Seeger, M.A. | | Deposit date: | 2019-03-01 | | Release date: | 2019-05-29 | | Last modified: | 2019-06-05 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | The extracellular gate shapes the energy profile of an ABC exporter.
Nat Commun, 10, 2019
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3HH2
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3HIJ
 | | Crystal structure of dihydrodipicolinate synthase from Bacillus anthracis in complex with its substrate, pyruvate | | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, SODIUM ION | | Authors: | Voss, J.E, Scally, S.W, Dobson, R.C.J, Perugini, M.A. | | Deposit date: | 2009-05-20 | | Release date: | 2009-11-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Substrate-mediated Stabilization of a Tetrameric Drug Target Reveals Achilles Heel in Anthrax.
J.Biol.Chem., 285, 2010
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7R60
 | | BTK in complex with 18A | | Descriptor: | 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A. | | Deposit date: | 2021-06-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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3HE0
 | | The Structure of a Putative Transcriptional Regulator TetR Family Protein from Vibrio parahaemolyticus. | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Cuff, M.E, Hendricks, R, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-05-07 | | Release date: | 2009-07-07 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Structure of a Putative Transcriptional Regulator TetR Family Protein from Vibrio parahaemolyticus.
TO BE PUBLISHED
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7R61
 | | BTK in complex with 25A | | Descriptor: | 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A. | | Deposit date: | 2021-06-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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7MH7
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6QLW
 | | Cathepsin-K in complex with MIV-710 | | Descriptor: | CHLORIDE ION, Cathepsin K, SODIUM ION, ... | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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3HJ5
 | | Human prion protein variant V129 domain swapped dimer | | Descriptor: | Major prion protein | | Authors: | Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C. | | Deposit date: | 2009-05-20 | | Release date: | 2010-01-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation.
Embo J., 29, 2010
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7M6D
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7RF6
 | | RT XFEL structure of Photosystem II 250 microseconds after the second illumination at 2.01 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2021-07-13 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
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7RF2
 | | RT XFEL structure of dark-stable state of Photosystem II (0F, S1 rich) at 2.08 Angstrom | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2021-07-13 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
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7RF8
 | | RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2021-07-13 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
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7MKL
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7RF7
 | | RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.09 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2021-07-13 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
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7RF5
 | | RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.23 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2021-07-13 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
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2GDU
 | | E232Q mutant of sucrose phosphorylase from BIFIDOBACTERIUM ADOLESCENTIS in complex with sucrose | | Descriptor: | beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, sucrose phosphorylase | | Authors: | Skov, L.K, Mirza, O, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2006-03-17 | | Release date: | 2006-09-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Rearrangements of Sucrose Phosphorylase from Bifidobacterium adolescentis during Sucrose Conversion
J.Biol.Chem., 281, 2006
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2GFI
 | | Crystal structure of the phytase from D. castellii at 2.3 A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, phytase | | Authors: | Hoh, F. | | Deposit date: | 2006-03-22 | | Release date: | 2007-03-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structure of Debaryomyces castellii CBS 2923 phytase.
Acta Crystallogr.,Sect.F, 65, 2009
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2GEC
 | | Structure of the N-terminal domain of avian infectious bronchitis virus nucleocapsid protein (strain Gray) in a novel dimeric arrangement | | Descriptor: | Nucleocapsid protein | | Authors: | Jayaram, H, Fan, H, Bowman, B.R, Ooi, A, Jayaram, J, Collisson, E.W, Lescar, J, Prasad, B.V. | | Deposit date: | 2006-03-19 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | X-ray structures of the N- and C-terminal domains of a coronavirus nucleocapsid protein: implications for nucleocapsid formation.
J.Virol., 80, 2006
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2GDS
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2G5R
 | | Crystal structure of Siglec-7 in complex with methyl-9-(aminooxalyl-amino)-9-deoxyNeu5Ac (oxamido-Neu5Ac) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Sialic acid-binding Ig-like lectin 7, ... | | Authors: | Attrill, H, Crocker, P.R, van Aalten, D.M. | | Deposit date: | 2006-02-23 | | Release date: | 2006-06-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure of siglec-7 in complex with sialosides: leads for rational structure-based inhibitor design.
Biochem.J., 397, 2006
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2GH9
 | | Thermus thermophilus maltotriose binding protein bound with maltotriose | | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose/maltodextrin-binding protein | | Authors: | Cuneo, M.J, Changela, A, Beese, L.S, Hellinga, H.W. | | Deposit date: | 2006-03-27 | | Release date: | 2007-02-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural adaptations that modulate monosaccharide, disaccharide, and trisaccharide specificities in periplasmic maltose-binding proteins.
J.Mol.Biol., 389, 2009
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6ZB9
 | | Exo-beta-1,3-glucanase from moose rumen microbiome, wild type | | Descriptor: | Exo-beta-1,3-glucanase | | Authors: | Kalyani, D.C, Reichenbach, T, Aspeborg, H, Divne, C. | | Deposit date: | 2020-06-08 | | Release date: | 2021-01-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A homodimeric bacterial exo-beta-1,3-glucanase derived from moose rumen microbiome shows a structural framework similar to yeast exo-beta-1,3-glucanases.
Enzyme.Microb.Technol., 143, 2021
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6ZCA
 | | Structure of the B. subtilis RNA POLYMERASE in complex with HelD (monomer) | | Descriptor: | DNA helicase, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Pei, H.-P, Hilal, T, Huang, Y.-H, Said, N, Loll, B, Wahl, M.C. | | Deposit date: | 2020-06-10 | | Release date: | 2020-10-14 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The delta subunit and NTPase HelD institute a two-pronged mechanism for RNA polymerase recycling.
Nat Commun, 11, 2020
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6QBH
 | | Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 33 | | Descriptor: | (4~{S},5~{S},9~{S})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brynda, J, Houstecka, R, Majer, P, Mares, M. | | Deposit date: | 2018-12-21 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.
J.Med.Chem., 63, 2020
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