8G7J
 
 | | mtHsp60 V72I apo | | Descriptor: | 60 kDa heat shock protein, mitochondrial | | Authors: | Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R. | | Deposit date: | 2023-02-16 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
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8G9Q
 | | Tricomplex of Compound-1, KRAS G12C, and CypA | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | | Deposit date: | 2023-02-21 | | Release date: | 2023-08-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS.
Science, 381, 2023
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8G9P
 | | Tricomplex of RMC-4998, KRAS G12C, and CypA | | Descriptor: | (2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2023-02-21 | | Release date: | 2023-08-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS.
Science, 381, 2023
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1QNT
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2A0J
 | | Crystal Structure of Nitrogen Regulatory Protein IIA-Ntr from Neisseria meningitidis | | Descriptor: | PTS system, nitrogen regulatory IIA protein | | Authors: | Ren, J, Sainsbury, S, Berrow, N.S, Alderton, D, Nettleship, J.E, Stammers, D.K, Saunders, N.J, Owens, R.J, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2005-06-16 | | Release date: | 2005-09-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of nitrogen regulatory protein IIANtr from Neisseria meningitidis
Bmc Struct.Biol., 5, 2005
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298D
 | | TARGETING THE MINOR GROOVE OF DNA: CRYSTAL STRUCTURES OF TWO COMPLEXES BETWEEN FURAN DERIVATIVES OF BERENIL AND THE DNA DODECAMER D(CGCGAATTCGCG)2 | | Descriptor: | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Trent, J.O, Clark, G.R, Kumar, A, Wilson, W.D, Boykin, D.W, Hall, J.E, Tidwell, R.R, Blagburn, B.L, Neidle, S. | | Deposit date: | 1996-10-10 | | Release date: | 1996-12-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeting the minor groove of DNA: crystal structures of two complexes between furan derivatives of berenil and the DNA dodecamer d(CGCGAATTCGCG)2.
J.Med.Chem., 39, 1996
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5TOG
 | | Room temperature structure of ubiquitin variant u7ub25.2540 | | Descriptor: | Polyubiquitin-B, SULFATE ION | | Authors: | Biel, J.T, Thompson, M.C, Cunningham, C.N, Corn, J.E, Fraser, J.S. | | Deposit date: | 2016-10-17 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin.
Structure, 25, 2017
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1QZM
 | | alpha-domain of ATPase | | Descriptor: | ATP-dependent protease La | | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Khalatova, A.G, Rasulova, F.S, Tropea, J.E, Maurizi, M.R, Rotanova, T.V, Gustchina, A, Wlodawer, A. | | Deposit date: | 2003-09-17 | | Release date: | 2004-05-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the AAA+ alpha domain of E. coli Lon protease at 1.9A resolution.
J.Struct.Biol., 146
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5Y8Q
 | | ZsYellow at pH 8.0 | | Descriptor: | GFP-like fluorescent chromoprotein FP538 | | Authors: | Bae, J.E, Kim, I.J, Nam, K.H. | | Deposit date: | 2017-08-21 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Disruption of the hydrogen bonding network determines the pH-induced non-fluorescent state of the fluorescent protein ZsYellow by protonation of Glu221.
Biochem. Biophys. Res. Commun., 493, 2017
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7REF
 | | Structure of MS3494 from Mycobacterium smegmatis | | Descriptor: | BROMIDE ION, MS3494 | | Authors: | Kent, J.E, Aleshin, A.E, Zhang, L, Niederweis, M, Marassi, F.M. | | Deposit date: | 2021-07-12 | | Release date: | 2021-08-18 | | Last modified: | 2022-06-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A periplasmic cinched protein is required for siderophore secretion and virulence of Mycobacterium tuberculosis.
Nat Commun, 13, 2022
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4YGY
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4IPM
 | | Crystal structure of a GH7 family cellobiohydrolase from Limnoria quadripunctata in complex with thiocellobiose | | Descriptor: | ACETATE ION, CALCIUM ION, GH7 family protein, ... | | Authors: | McGeehan, J.E, Martin, R.N.A, Streeter, S.D, Cragg, S.M, Guille, M.J, Schnorr, K.M, Kern, M, Bruce, N.C, McQueen-Mason, S.J. | | Deposit date: | 2013-01-10 | | Release date: | 2013-06-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance.
Proc.Natl.Acad.Sci.USA, 110, 2013
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2AF6
 | | Crystal structure of Mycobacterium tuberculosis Flavin dependent thymidylate synthase (Mtb ThyX) in the presence of co-factor FAD and substrate analog 5-Bromo-2'-Deoxyuridine-5'-Monophosphate (BrdUMP) | | Descriptor: | 5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Sampathkumar, P, Turley, S, Ulmer, J.E, Rhie, H.G, Sibley, C.H, Hol, W.G. | | Deposit date: | 2005-07-25 | | Release date: | 2005-10-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure of the Mycobacterium tuberculosis Flavin Dependent Thymidylate Synthase (MtbThyX) at 2.0A Resolution.
J.Mol.Biol., 352, 2005
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2DB4
 | | Crystal structure of rotor ring with DCCD of the V- ATPase from Enterococcus hirae | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, DICYCLOHEXYLUREA, SODIUM ION, ... | | Authors: | Murata, T, Yamato, I, Kakinuma, Y, Shirouzu, M, Walker, J.E, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-12-15 | | Release date: | 2006-12-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the rotor ring modified with N,N'-dicyclohexylcarbodiimide of the Na+-transporting vacuolar ATPase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4J4J
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4YU8
 | | Crystal structure of Neuroblastoma suppressor of tumorigenicity 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Neuroblastoma suppressor of tumorigenicity 1 | | Authors: | Ren, J, Nettleship, J.E, Stammers, D.K, Owens, R.J, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2015-03-18 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Neuroblastoma suppressor of tumorigenicity 1
To Be Published
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1QZ0
 | | Crystal Structure of the Yersinia Pestis Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide | | Descriptor: | ASP-ALA-ASP-GLU-FTY-LEU-NH2, Protein-tyrosine phosphatase yopH | | Authors: | Phan, J, Lee, K, Cherry, S, Tropea, J.E, Burke Jr, T.R, Waugh, D.S. | | Deposit date: | 2003-09-15 | | Release date: | 2003-11-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High-Resolution Structure of the Yersinia pestis Protein Tyrosine Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide
Biochemistry, 42, 2003
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204D
 | | THE SOLUTION STRUCTURES OF PSORALEN MONOADDUCTED AND CROSSLINKED DNA OLIGOMERS BY NMR SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS | | Descriptor: | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN, DNA (5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3') | | Authors: | Spielmann, H.P, Dwyer, T.J, Hearst, J.E, Wemmer, D.E. | | Deposit date: | 1995-04-06 | | Release date: | 1995-09-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of psoralen monoadducted and cross-linked DNA oligomers by NMR spectroscopy and restrained molecular dynamics.
Biochemistry, 34, 1995
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5TVA
 | | A. aeolicus BioW with AMP and CoA | | Descriptor: | 6-carboxyhexanoate--CoA ligase, ADENOSINE MONOPHOSPHATE, COENZYME A | | Authors: | Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K. | | Deposit date: | 2016-11-08 | | Release date: | 2016-12-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
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203D
 | | THE SOLUTION STRUCTURES OF PSORALEN MONOADDUCTED AND CROSSLINKED DNA OLIGOMERS BY NMR SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS | | Descriptor: | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN, DNA (5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3') | | Authors: | Spielmann, H.P, Dwyer, T.J, Hearst, J.E, Wemmer, D.E. | | Deposit date: | 1995-04-06 | | Release date: | 1995-09-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of psoralen monoadducted and cross-linked DNA oligomers by NMR spectroscopy and restrained molecular dynamics.
Biochemistry, 34, 1995
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1ZZZ
 | | Trypsin inhibitors with rigid tripeptidyl aldehydes | | Descriptor: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, CALCIUM ION, TRYPSIN | | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | | Deposit date: | 1998-06-02 | | Release date: | 1999-06-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
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1QIQ
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACmC Fe COMPLEX) | | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE, ... | | Authors: | Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E. | | Deposit date: | 1999-06-15 | | Release date: | 2000-06-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction.
Nature, 401, 1999
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1QJF
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (Monocyclic Sulfoxide - Fe COMPLEX) | | Descriptor: | 1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | | Authors: | Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E. | | Deposit date: | 1999-06-23 | | Release date: | 2000-06-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
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1QJE
 | | Isopenicillin N synthase from Aspergillus nidulans (IP1 - Fe complex) | | Descriptor: | FE (II) ION, ISOPENICILLIN N, ISOPENICILLIN N SYNTHASE, ... | | Authors: | Burzlaff, N.I, Clifton, I.J, Rutledge, P.J, Roach, P.L, Adlington, R.M, Baldwin, J.E. | | Deposit date: | 1999-06-23 | | Release date: | 2000-06-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
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4IXR
 | | RT fs X-ray diffraction of Photosystem II, first illuminated state | | 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, Alonso-Mori, R, Tran, R, Hattne, J, Gildea, R.J, Echols, N, Gloeckner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Koroidov, S, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, Schafer, D.W, Messerschmidt, M, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Grosse-Kunstleve, R.W, Zwart, P.H, White, W.E, Glatzel, P, Adams, P.D, Bogan, M.J, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Sauter, N.K, Yachandra, V.K, Bergmann, U, Yano, J. | | Deposit date: | 2013-01-27 | | Release date: | 2013-02-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (5.9 Å) | | Cite: | Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature.
Science, 340, 2013
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