1CDZ
 
 | | BRCT DOMAIN FROM DNA-REPAIR PROTEIN XRCC1 | | Descriptor: | PROTEIN (DNA-REPAIR PROTEIN XRCC1) | | Authors: | Zhang, X, Morera, S, Bates, P, Whitehead, P, Coffer, A, Hainbucher, K, Nash, R, Sternberg, M, Lindahl, T, Freemont, P. | | Deposit date: | 1999-03-04 | | Release date: | 2000-02-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of an XRCC1 BRCT domain: a new protein-protein interaction module.
EMBO J., 17, 1998
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1CE5
 | | BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZAMIDINE | | Descriptor: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ota, N, Stroupe, C, Ferreira-Da-Silva, J.M.S, Shah, S.S, Mares-Guia, M, Brunger, A.T. | | Deposit date: | 1999-03-16 | | Release date: | 1999-03-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine.
Proteins, 37, 1999
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7AY9
 | | Crystal structure of CK2 bound by compound 7 | | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | | Authors: | Ferguson, A, Collie, G.W. | | Deposit date: | 2020-11-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics.
To Be Published
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1CEV
 | | ARGINASE FROM BACILLUS CALDOVELOX, NATIVE STRUCTURE AT PH 5.6 | | Descriptor: | MANGANESE (II) ION, PROTEIN (ARGINASE) | | Authors: | Bewley, M.C, Jeffrey, P.D, Patchett, M.L, Kanyo, Z.F, Baker, E.N. | | Deposit date: | 1999-03-12 | | Release date: | 1999-04-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily.
Structure Fold.Des., 7, 1999
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7AYA
 | | Crystal structure of CK2 bound by compound 9 | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Ferguson, A, Collie, G.W. | | Deposit date: | 2020-11-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics.
To Be Published
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1CH0
 | | RNASE T1 VARIANT WITH ALTERED GUANINE BINDING SEGMENT | | Descriptor: | CALCIUM ION, CHLORIDE ION, GUANOSINE-2'-MONOPHOSPHATE, ... | | Authors: | Hoeschler, K, Hoier, H, Orth, P, Hubner, B, Saenger, W, Hahn, U. | | Deposit date: | 1999-03-30 | | Release date: | 1999-12-22 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of an RNase T1 variant with an altered guanine binding segment.
J.Mol.Biol., 294, 1999
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5MX2
 | | Photosystem II depleted of the Mn4CaO5 cluster at 2.55 A 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: | Zhang, M, Bommer, M, Chatterjee, R, Hussain, R, Kern, J, Yano, J, Dau, H, Dobbek, H, Zouni, A. | | Deposit date: | 2017-01-20 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | Structural insights into the light-driven auto-assembly process of the water-oxidizing Mn4CaO5-cluster in photosystem II.
Elife, 6, 2017
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7ARC
 | | Cryo-EM structure of Polytomella Complex-I (peripheral arm) | | Descriptor: | 13 kDa, 18 kDa, 24 kDa, ... | | Authors: | Klusch, N, Kuehlbrandt, W, Yildiz, O. | | Deposit date: | 2020-10-23 | | Release date: | 2021-12-08 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
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5FGF
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1CIP
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7AR9
 | | Cryo-EM structure of Polytomella Complex-I (membrane arm) | | Descriptor: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 15 kDa, AGGG, ... | | Authors: | Klusch, N, Kuehlbrandt, W, Yildiz, O. | | Deposit date: | 2020-10-23 | | Release date: | 2021-12-08 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
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1CJ3
 | | MUTANT TYR38GLU OF PARA-HYDROXYBENZOATE HYDROXYLASE | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE) | | Authors: | Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H. | | Deposit date: | 1999-04-21 | | Release date: | 1999-04-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999
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7ARD
 | | Cryo-EM structure of Polytomella Complex-I (complete composition) | | Descriptor: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 13 kDa, 15 kDa, ... | | Authors: | Klusch, N, Kuehlbrandt, W, Yildiz, O. | | Deposit date: | 2020-10-23 | | Release date: | 2021-12-08 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
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1CK0
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1CJ4
 | | MUTANT Q34T OF PARA-HYDROXYBENZOATE HYDROXYLASE | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE) | | Authors: | Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H. | | Deposit date: | 1999-04-21 | | Release date: | 1999-04-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999
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1CL0
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1CKH
 | | T70V MUTANT HUMAN LYSOZYME | | Descriptor: | PROTEIN (LYSOZYME) | | Authors: | Takano, K, Yamagata, Y, Funahashi, J, Yutani, K. | | Deposit date: | 1999-04-22 | | Release date: | 1999-04-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Contribution of intra- and intermolecular hydrogen bonds to the conformational stability of human lysozyme(,).
Biochemistry, 38, 1999
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5FHO
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-chlorobenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at 2.3 A resolution | | Descriptor: | (1S)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2H-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2015-12-22 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues.
J.Med.Chem., 59, 2016
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1CLZ
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1CMN
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7B49
 | | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to DNA and MQ: R273H-DNA-MQ | | Descriptor: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, 1,2-ETHANEDIOL, ... | | Authors: | Rozenberg, H, Degtjarik, O, Shakked, Z. | | Deposit date: | 2020-12-02 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
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1COY
 | | CRYSTAL STRUCTURE OF CHOLESTEROL OXIDASE COMPLEXED WITH A STEROID SUBSTRATE. IMPLICATIONS FOR FAD DEPENDENT ALCOHOL OXIDASES | | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, CHOLESTEROL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Li, J, Vrielink, A, Brick, P, Blow, D.M. | | Deposit date: | 1993-06-14 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of cholesterol oxidase complexed with a steroid substrate: implications for flavin adenine dinucleotide dependent alcohol oxidases.
Biochemistry, 32, 1993
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1COZ
 | | CTP:GLYCEROL-3-PHOSPHATE CYTIDYLYLTRANSFERASE FROM BACILLUS SUBTILIS | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, PROTEIN (GLYCEROL-3-PHOSPHATE CYTIDYLYLTRANSFERASE) | | Authors: | Weber, C.H, Park, Y.S, Sanker, S, Kent, C, Ludwig, M.L. | | Deposit date: | 1999-05-29 | | Release date: | 1999-10-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A prototypical cytidylyltransferase: CTP:glycerol-3-phosphate cytidylyltransferase from bacillus subtilis.
Structure Fold.Des., 7, 1999
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5M9R
 | | Human angiogenin ALS variant F100I | | Descriptor: | Angiogenin, D(-)-TARTARIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R. | | Deposit date: | 2016-11-02 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
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5FKJ
 | | Crystal structure of mouse acetylcholinesterase in complex with C-547, an alkyl ammonium derivative of 6-methyl uracil | | Descriptor: | 1,3-BIS[5(DIETHYL-O-NITROBENZYLAMMONIUM)PENTYL]-6-METHYLURACIL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Nachon, F, Villard-Wandhammer, M, Petrov, K, Masson, P. | | Deposit date: | 2015-10-16 | | Release date: | 2016-03-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.133 Å) | | Cite: | Slow-Binding Inhibition of Acetylcholinesterase by a 6-Methyluracil Alkyl-Ammonium Derivative: Mechanism and Advantages for Myasthenia Gravis Treatment.
Biochem.J., 473, 2016
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