6DHG
 
 | | RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 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: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2018-05-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
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7W8L
 | | Crystal Structure of Co-type nitrile hydratase mutant from Pseudonocardia thermophila - M46R | | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit beta, Nitrile hydratase | | Authors: | Ma, D, Cheng, Z.Y, Hou, X.D, Peplowski, L, Lai, Q.P, Fu, K, Yin, D.J, Rao, Y.J, Zhou, Z.M. | | Deposit date: | 2021-12-08 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis.
Chem Sci, 13, 2022
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7W8M
 | | Crystal structure of Co-type nitrile hydratase mutant from Pseudomonas thermophila - A129R | | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit beta, Nitrile hydratase | | Authors: | Ma, D, Cheng, Z.Y, Hou, X.D, Peplowski, L, Lai, Q.P, Fu, K, Yin, D.J, Rao, Y.J, Zhou, Z.M. | | Deposit date: | 2021-12-08 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis.
Chem Sci, 13, 2022
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4XHV
 | | Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LP20995p, ... | | Authors: | Driller, J.H, Muhammad, K.G.H, Reddy, S, Rey, U, Boehme, M.A, Hollmann, C, Ramesh, N, Depner, H, Luetzkendorf, J, Matkovic, T, Bergeron, D, Quentin, C, Schmoranzer, J, Goettfert, F, Holt, M, Wahl, M.C, Hell, S.W, Walter, A, Sigrist, S.J, Loll, B. | | Deposit date: | 2015-01-06 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function.
Nat Commun, 6, 2015
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6DMP
 | | De Novo Design of a Protein Heterodimer with Specificity Mediated by Hydrogen Bond Networks | | Descriptor: | Designed orthogonal protein DHD13_XAAA_A, Designed orthogonal protein DHD13_XAAA_B | | Authors: | Chen, Z, Flores-Solis, D, Sgourakis, N.G, Baker, D. | | Deposit date: | 2018-06-05 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
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3KRV
 | | The Structure Of Potential Metal-Dependent Hydrolase With Cyclase Activity | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Rakonjac, N, Rezacova, P, Borek, D, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-11-19 | | Release date: | 2010-01-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The Structure Of Potential Metal-Dependent Hydrolase With Cyclase Activity
To be Published
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1HE7
 | | Human Nerve growth factor receptor TrkA | | Descriptor: | GLYCEROL, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR | | Authors: | Banfield, M, Robertson, A, Allen, S, Dando, J, Tyler, S, Bennett, G, Brain, S, Mason, G, Holden, P, Clarke, A, Naylor, R, Wilcock, G, Brady, R, Dawbarn, D. | | Deposit date: | 2000-11-20 | | Release date: | 2001-04-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and Structure of the Nerve Growth Factor Binding Site on Trka.
Biochem.Biophys.Res.Commun., 282, 2001
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6E6Z
 | | Structure of Wild Type Human Transthyretin in Complex with Tafamidis | | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | Authors: | Chung, K, Saelices, L, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Variants of Transthyretin
To Be Published
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6E77
 | | Structure of Human Transthyretin Asp38Ala Mutant in Complex with Tafamidis | | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | Authors: | Saelices, L, Chung, K, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Variants of Transthyretin
To Be Published
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7WPO
 | | Structure of NeoCOV RBD binding to Bat37 ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cao, L, Wang, X, Tortorici, M.A, Veesler, D. | | Deposit date: | 2022-01-24 | | Release date: | 2022-11-30 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
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7WPZ
 | | Structure of PDF-2180-COV RBD binding to Bat37 ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | | Authors: | Cao, L, Wang, X, Tortorici, M.A, Veesler, D. | | Deposit date: | 2022-01-24 | | Release date: | 2022-11-30 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
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1GT8
 | | DIHYDROPYRIMIDINE DEHYDROGENASE (DPD) FROM PIG, TERNARY COMPLEX WITH NADPH AND URACIL-4-ACETIC ACID | | Descriptor: | DIHYDROPYRIMIDINE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Dobritzsch, D, Ricagno, S, Schneider, G, Schnackerz, K.D, Lindqvist, Y. | | Deposit date: | 2002-01-14 | | Release date: | 2002-04-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of the productive ternary complex of dihydropyrimidine dehydrogenase with NADPH and 5-iodouracil. Implications for mechanism of inhibition and electron transfer.
J. Biol. Chem., 277, 2002
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1GTE
 | | DIHYDROPYRIMIDINE DEHYDROGENASE (DPD) FROM PIG, BINARY COMPLEX WITH 5-IODOURACIL | | Descriptor: | 5-IODOURACIL, DIHYDROPYRIMIDINE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Dobritzsch, D, Ricagno, S, Schneider, G, Schnackerz, K.D, Lindqvist, Y. | | Deposit date: | 2002-01-15 | | Release date: | 2002-04-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the productive ternary complex of dihydropyrimidine dehydrogenase with NADPH and 5-iodouracil. Implications for mechanism of inhibition and electron transfer.
J. Biol. Chem., 277, 2002
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1GTH
 | | DIHYDROPYRIMIDINE DEHYDROGENASE (DPD) FROM PIG, TERNARY COMPLEX WITH NADPH AND 5-IODOURACIL | | Descriptor: | (5S)-5-IODODIHYDRO-2,4(1H,3H)-PYRIMIDINEDIONE, 5-IODOURACIL, DIHYDROPYRIMIDINE DEHYDROGENASE, ... | | Authors: | Dobritzsch, D, Ricagno, S, Schneider, G, Schnackerz, K.D, Lindqvist, Y. | | Deposit date: | 2002-01-15 | | Release date: | 2002-04-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of the productive ternary complex of dihydropyrimidine dehydrogenase with NADPH and 5-iodouracil. Implications for mechanism of inhibition and electron transfer.
J. Biol. Chem., 277, 2002
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3H6P
 | | Crystal structure of Rv3019c-Rv3020c from Mycobacterium tuberculosis | | Descriptor: | ESAT-6 LIKE PROTEIN ESXS, ESAT-6-like protein esxR, GLYCEROL | | Authors: | Chan, S, Arbing, M, Phan, T, Kaufmann, M, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC), Integrated Center for Structure and Function Innovation (ISFI) | | Deposit date: | 2009-04-23 | | Release date: | 2009-06-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structure of Rv3019c-Rv3020c from Mycobacterium tuberculosis
To be Published
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1H6H
 | | Structure of the PX domain from p40phox bound to phosphatidylinositol 3-phosphate | | Descriptor: | 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, GLYCEROL, NEUTROPHIL CYTOSOL FACTOR 4 | | Authors: | Karathanassis, D, Bravo, J, Pacold, M, Perisic, O, Williams, R.L. | | Deposit date: | 2001-06-15 | | Release date: | 2001-11-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of the Px Domain from P40Phox Bound to Phosphatidylinositol 3-Phosphate
Mol.Cell, 8, 2001
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1H6P
 | | Dimeristion domain from human TRF2 | | Descriptor: | MAGNESIUM ION, TELOMERIC REPEAT BINDING FACTOR 2 | | Authors: | Chapman, L, Fairall, L, Rhodes, D. | | Deposit date: | 2001-06-20 | | Release date: | 2001-09-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the Trfh Dimerization Domain of the Human Telomere Proteins Trf1 and Trf2
Mol.Cell, 8, 2001
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7AEG
 | | SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide | | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
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3H98
 | | Crystal structure of HCV NS5b 1b with (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyrimidine derivative | | Descriptor: | GLYCEROL, N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Wang, G, Lei, H, Wang, X, Das, D, Mackinnon, C, Montalbetti, C.A.G, Mears, R, Gai, X, Bailey, S, Ruhrmund, D, Hooi, L, Misialek, S, Rajagopalan, R, Cheng, R.K.Y, Barker, J.L, Felicetti, B, Stoycheva, A, Buckman, B, Kossen, K, Seiwert, S, Beigelmana, L. | | Deposit date: | 2009-04-30 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives.
Bioorg.Med.Chem.Lett., 19, 2009
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6EPO
 | | RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3 | | Descriptor: | 3-(4-chlorophenyl)propan-1-amine, GLYCEROL, GTPase KRas, ... | | Authors: | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | | Deposit date: | 2017-10-12 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6E70
 | | Structure of Wild Type Human Transthyretin in Complex with Diflunisal | | Descriptor: | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, CALCIUM ION, Transthyretin | | Authors: | Chung, K, Saelices, L, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Structural Variants of Transthyretin
To Be Published
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3RUB
 | | CRYSTAL STRUCTURE OF THE UNACTIVATED FORM OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE FROM TOBACCO REFINED AT 2.0-ANGSTROMS RESOLUTION | | Descriptor: | ASPARAGINE, RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE, FORM III, ... | | Authors: | Schreuder, H, Cascio, D, Curmi, P.M.G, Chapman, M.S, Suh, S.W, Eisenberg, D.S. | | Deposit date: | 1990-05-25 | | Release date: | 1992-10-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the unactivated form of ribulose-1,5-bisphosphate carboxylase/oxygenase from tobacco refined at 2.0-A resolution.
J.Biol.Chem., 267, 1992
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3HH7
 | | Structural and Functional Characterization of a Novel Homodimeric Three-finger Neurotoxin from the Venom of Ophiophagus hannah (King Cobra) | | Descriptor: | Muscarinic toxin-like protein 3 homolog | | Authors: | Roy, A, Zhou, X, Chong, M.Z, D'hoedt, D, Foo, C.S, Rajagopalan, N, Nirthanan, S, Bertrand, D, Sivaraman, J, Kini, R.M. | | Deposit date: | 2009-05-15 | | Release date: | 2010-01-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and Functional Characterization of a Novel Homodimeric Three-finger Neurotoxin from the Venom of Ophiophagus hannah (King Cobra)
J.Biol.Chem., 285, 2010
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1I84
 | | CRYO-EM STRUCTURE OF THE HEAVY MEROMYOSIN SUBFRAGMENT OF CHICKEN GIZZARD SMOOTH MUSCLE MYOSIN WITH REGULATORY LIGHT CHAIN IN THE DEPHOSPHORYLATED STATE. ONLY C ALPHAS PROVIDED FOR REGULATORY LIGHT CHAIN. ONLY BACKBONE ATOMS PROVIDED FOR S2 FRAGMENT. | | Descriptor: | SMOOTH MUSCLE MYOSIN ESSENTIAL LIGHT CHAIN, SMOOTH MUSCLE MYOSIN HEAVY CHAIN, SMOOTH MUSCLE MYOSIN REGULATORY LIGHT CHAIN | | Authors: | Wendt, T, Taylor, D, Trybus, K.M, Taylor, K. | | Deposit date: | 2001-03-12 | | Release date: | 2001-03-28 | | Last modified: | 2022-12-21 | | Method: | ELECTRON CRYSTALLOGRAPHY (20 Å) | | Cite: | Three-dimensional image reconstruction of dephosphorylated smooth muscle heavy meromyosin reveals asymmetry in the interaction between myosin heads and placement of subfragment 2.
Proc.Natl.Acad.Sci.USA, 98, 2001
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4FZ3
 | | Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin | | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ... | | Authors: | Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H. | | Deposit date: | 2012-07-06 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate
J.Med.Chem., 56, 2013
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