3AKN
 
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1MRO
 | | METHYL-COENZYME M REDUCTASE | | Descriptor: | 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ... | | Authors: | Ermler, U, Grabarse, W. | | Deposit date: | 1997-10-01 | | Release date: | 1998-11-11 | | Last modified: | 2017-03-29 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Crystal structure of methyl-coenzyme M reductase: the key enzyme of biological methane formation.
Science, 278, 1997
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6CC9
 | | NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc | | Descriptor: | (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, ... | | Authors: | Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M. | | Deposit date: | 2018-02-06 | | Release date: | 2018-09-05 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site.
Cell Chem Biol, 25, 2018
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4GTS
 | | Engineered RabGGTase in complex with BMS analogue 16 | | Descriptor: | 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... | | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | | Deposit date: | 2012-08-29 | | Release date: | 2012-10-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
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6WE1
 | | Wheat dwarf virus Rep domain complexed with a single-stranded DNA 8-mer comprising the cleavage site | | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*TP*TP*AP*C)-3'), MANGANESE (II) ION, Replication-associated protein | | Authors: | Tompkins, K, Litzau, L.A, Pornschloegl, L, Nelson, A.T, Evans III, R.L, Gordon, W.R. | | Deposit date: | 2020-04-01 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Molecular underpinnings of ssDNA specificity by Rep HUH-endonucleases and implications for HUH-tag multiplexing and engineering.
Nucleic Acids Res., 49, 2021
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4E98
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5TAN
 | | Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 3) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | Deposit date: | 2016-09-10 | | Release date: | 2016-10-12 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
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3K96
 | | 2.1 Angstrom resolution crystal structure of glycerol-3-phosphate dehydrogenase (gpsA) from Coxiella burnetii | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, Glycerol-3-phosphate dehydrogenase [NAD(P)+] | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-10-15 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 2.1 Angstrom Resolution Crystal Structure of Glycerol-3-phosphate Dehydrogenase (gpsA) from Coxiella burnetii.
TO BE PUBLISHED
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6WJG
 | | PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar carcinoma | | Descriptor: | DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha fusion, cAMP-dependent protein kinase type II-beta regulatory subunit | | Authors: | Lu, T.-W, Aoto, P.C, Weng, J.-H, Nielsen, C, Cash, J.N, Hall, J, Zhang, P, Simon, S.M, Cianfrocco, M.A, Taylor, S.S. | | Deposit date: | 2020-04-13 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Structural analyses of the PKA RII beta holoenzyme containing the oncogenic DnaJB1-PKAc fusion protein reveal protomer asymmetry and fusion-induced allosteric perturbations in fibrolamellar hepatocellular carcinoma.
Plos Biol., 18, 2020
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1KFU
 | | Crystal Structure of Human m-Calpain Form II | | Descriptor: | M-CALPAIN LARGE SUBUNIT, M-CALPAIN SMALL SUBUNIT | | Authors: | Strobl, S, Fernandez-Catalan, C, Braun, M, Huber, R, Masumoto, H, Nakagawa, K, Irie, A, Sorimachi, H, Bourenkow, G, Bartunik, H, Suzuki, K, Bode, W. | | Deposit date: | 2001-11-23 | | Release date: | 2001-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of calcium-free human m-calpain suggests an electrostatic switch mechanism for activation by calcium.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1G0G
 | | CRYSTAL STRUCTURE OF T4 LYSOZYME MUTANT T152A | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, PROTEIN (LYSOZYME) | | Authors: | Xu, J, Baase, W.A, Quillin, M.L, Matthews, B.W. | | Deposit date: | 2000-10-06 | | Release date: | 2001-05-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and thermodynamic analysis of the binding of solvent at internal sites in T4 lysozyme.
Protein Sci., 10, 2001
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1G0K
 | | CRYSTAL STRUCTURE OF T4 LYSOZYME MUTANT T152C | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, PROTEIN (LYSOZYME) | | Authors: | Xu, J, Baase, W.A, Quillin, M.L, Matthews, B.W. | | Deposit date: | 2000-10-06 | | Release date: | 2001-05-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and thermodynamic analysis of the binding of solvent at internal sites in T4 lysozyme.
Protein Sci., 10, 2001
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3J3I
 | | Penicillium chrysogenum virus (PcV) capsid structure | | Descriptor: | Capsid protein | | Authors: | Luque, D, Gomez-Blanco, J, Garriga, D, Brilot, A, Gonzalez, J.M, Havens, W.H, Carrascosa, J.L, Trus, B.L, Verdaguer, N, Grigorieff, N, Ghabrial, S.A, Caston, J.R. | | Deposit date: | 2013-03-08 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM near-atomic structure of a dsRNA fungal virus shows ancient structural motifs preserved in the dsRNA viral lineage.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1NBU
 | | 7,8-Dihydroneopterin Aldolase Complexed with Product From Mycobacterium Tuberculosis | | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, Probable dihydroneopterin aldolase | | Authors: | Goulding, C.W, Apostol, M.I, Sawaya, M.R, Phillips, M, Parseghian, A, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2002-12-03 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Regulation by oligomerization in a mycobacterial folate biosynthetic enzyme.
J.Mol.Biol., 349, 2005
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6WM9
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3HPQ
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1G2W
 | | E177S MUTANT OF THE PYRIDOXAL-5'-PHOSPHATE ENZYME D-AMINO ACID AMINOTRANSFERASE | | Descriptor: | ACETATE ION, D-ALANINE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Lepore, B.W, Ringe, D. | | Deposit date: | 2000-10-21 | | Release date: | 2000-11-15 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Studies on an Active Site Residue, E177, That Affects Binding of the Coenzyme in D-Amino Acid Transaminase, and Mechanistic Studies on a Suicide Substrate
Biochemistry and Molecular Biology of Vitamin B6 and PQQ-dependent Proteins, 10th Annual International Symposium on Vitamin B6, 2000
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3MY0
 | | Crystal structure of the ACVRL1 (ALK1) kinase domain bound to LDN-193189 | | Descriptor: | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Serine/threonine-protein kinase receptor R3 | | Authors: | Chaikuad, A, Alfano, I, Cooper, C, Mahajan, P, Daga, N, Sanvitale, C, Fedorov, O, Petrie, K, Savitsky, P, Gileadi, O, Sethi, R, Krojer, T, Muniz, J.R.C, Pike, A.C.W, Vollmar, M, Carpenter, C.P, Ugochukwu, E, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-08 | | Release date: | 2010-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A small molecule targeting ALK1 prevents Notch cooperativity and inhibits functional angiogenesis.
Angiogenesis, 18, 2015
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7R5R
 | | Structure of the human CCAN CENP-A alpha-satellite complex | | Descriptor: | Centromere protein C, DNA (171-MER), Histone H2A type 1-C, ... | | Authors: | Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D. | | Deposit date: | 2022-02-11 | | Release date: | 2022-04-27 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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6CHK
 | | Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound TRIS | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SODIUM ION, ... | | Authors: | Patskovsky, Y, Toro, R, Shabalin, I.G, Kowiel, M, Porebski, P.J, Minor, W, Jaskolski, M, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative, E.F.I. | | Deposit date: | 2018-02-22 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Automatic recognition of ligands in electron density by machine learning.
Bioinformatics, 35, 2019
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8TZZ
 | | SpG Cas9 with NGC PAM DNA target | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(P*CP*GP*TP*TP*TP*GP*TP*AP*CP*TP*GP*CP*AP*GP*CP*G)-3'), DNA (5'-D(P*TP*CP*TP*CP*AP*TP*CP*TP*TP*TP*AP*TP*GP*CP*GP*TP*C)-3'), ... | | Authors: | Bravo, J.P.K, Hibshman, G.N, Taylor, D.W. | | Deposit date: | 2023-08-28 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
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1G6P
 | | SOLUTION NMR STRUCTURE OF THE COLD SHOCK PROTEIN FROM THE HYPERTHERMOPHILIC BACTERIUM THERMOTOGA MARITIMA | | Descriptor: | COLD SHOCK PROTEIN TMCSP | | Authors: | Kremer, W, Schuler, B, Harrieder, S, Geyer, M, Gronwald, W, Welker, C, Jaenicke, R, Kalbitzer, H.R. | | Deposit date: | 2000-11-07 | | Release date: | 2001-11-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the cold-shock protein from the hyperthermophilic bacterium Thermotoga maritima.
Eur.J.Biochem., 268, 2001
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7R5V
 | | Structure of the human CCAN CENP-A alpha-satellite complex | | Descriptor: | Centromere protein H, Centromere protein I, Centromere protein K, ... | | Authors: | Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D. | | Deposit date: | 2022-02-11 | | Release date: | 2022-04-27 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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8U3Y
 | | SpG Cas9 with NGG PAM DNA target | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(P*CP*GP*TP*TP*TP*GP*TP*AP*CP*TP*CP*CP*AP*GP*CP*G)-3'), DNA (5'-D(P*TP*CP*TP*CP*AP*TP*CP*TP*TP*TP*AP*TP*GP*CP*GP*TP*C)-3'), ... | | Authors: | Bravo, J.P.K, Hibshman, G.N, Taylor, D.W. | | Deposit date: | 2023-09-08 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9.
Nat Commun, 15, 2024
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6HZY
 | | Crystal structure of a bacterial fucosidase with inhibitor FucPUG | | Descriptor: | 1,2-ETHANEDIOL, Alpha-L-fucosidase, SULFATE ION, ... | | Authors: | Wu, L, Davies, G.J, Stubbs, K.A, Coyle, T, Debowski, A.W. | | Deposit date: | 2018-10-24 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthetic and Crystallographic Insight into Exploiting sp2Hybridization in the Development of alpha-l-Fucosidase Inhibitors.
Chembiochem, 20, 2019
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