3HEQ
 
 | | Human prion protein variant D178N with M129 | | Descriptor: | CADMIUM ION, Major prion protein | | Authors: | Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C. | | Deposit date: | 2009-05-10 | | Release date: | 2010-01-12 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation.
Embo J., 29, 2010
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3HES
 | | Human prion protein variant F198S with M129 | | Descriptor: | CADMIUM ION, Major prion protein | | Authors: | Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C. | | Deposit date: | 2009-05-10 | | Release date: | 2010-01-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation.
Embo J., 29, 2010
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3HAF
 | | Human prion protein variant V129 domain swapped dimer | | Descriptor: | CADMIUM ION, CHLORIDE ION, Major prion protein | | Authors: | Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C. | | Deposit date: | 2009-05-01 | | Release date: | 2010-01-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation.
Embo J., 29, 2010
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3HAK
 | | Human prion protein variant V129 | | Descriptor: | Major prion protein | | Authors: | Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C. | | Deposit date: | 2009-05-01 | | Release date: | 2010-01-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation.
Embo J., 29, 2010
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3HER
 | | Human prion protein variant F198S with V129 | | Descriptor: | CADMIUM ION, Major prion protein | | Authors: | Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C. | | Deposit date: | 2009-05-10 | | Release date: | 2010-01-12 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation.
Embo J., 29, 2010
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3HJX
 | | Human prion protein variant D178N with V129 | | Descriptor: | CADMIUM ION, CHLORIDE ION, Major prion protein | | Authors: | Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C. | | Deposit date: | 2009-05-22 | | Release date: | 2010-01-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation.
Embo J., 29, 2010
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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: | 2024-10-16 | | 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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1RR2
 | | Propionibacterium shermanii transcarboxylase 5S subunit bound to 2-ketobutyric acid | | Descriptor: | 2-KETOBUTYRIC ACID, COBALT (II) ION, transcarboxylase 5S subunit | | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2003-12-08 | | Release date: | 2004-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit.
Embo J., 23, 2004
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1S3H
 | | Propionibacterium shermanii transcarboxylase 5S subunit A59T | | Descriptor: | COBALT (II) ION, transcarboxylase 5S subunit | | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2004-01-13 | | Release date: | 2004-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit.
Embo J., 23, 2004
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1RQE
 | | Propionibacterium shermanii transcarboxylase 5S subunit bound to oxaloacetate | | Descriptor: | COBALT (II) ION, OXALOACETATE ION, transcarboxylase 5S subunit | | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2003-12-05 | | Release date: | 2004-09-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit.
Embo J., 23, 2004
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1RQH
 | | Propionibacterium shermanii transcarboxylase 5S subunit bound to pyruvic acid | | Descriptor: | COBALT (II) ION, PYRUVIC ACID, transcarboxylase 5S subunit | | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2003-12-05 | | Release date: | 2004-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit.
Embo J., 23, 2004
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1RQB
 | | Propionibacterium shermanii transcarboxylase 5S subunit | | Descriptor: | COBALT (II) ION, transcarboxylase 5S subunit | | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2003-12-04 | | Release date: | 2004-09-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit.
Embo J., 23, 2004
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1U5J
 | | Propionibacterium shermanii transcarboxylase 5S subunit, Met186Ile | | Descriptor: | COBALT (II) ION, transcarboxylase 5S subunit | | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2004-07-27 | | Release date: | 2004-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit.
Embo J., 23, 2004
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2WTI
 | | CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR | | Descriptor: | 1,2-ETHANEDIOL, 4-[2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)PYRIDIN-3-YL]BENZAMIDE, CHECKPOINT KINASE 2, ... | | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2009-09-16 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2
Bioorg.Med.Chem., 18, 2010
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2WTD
 | | Crystal structure of Chk2 in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE, NITRATE ION, ... | | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2009-09-15 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2
Bioorg.Med.Chem., 18, 2010
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2WTJ
 | | CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE, CHECKPOINT KINASE 2, ... | | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2009-09-16 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2
Bioorg.Med.Chem., 18, 2010
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2XM8
 | | Co-crystal structure of a small molecule inhibitor bound to the kinase domain of Chk2 | | Descriptor: | 2-{4-[(3S)-PYRROLIDIN-3-YLAMINO]QUINAZOLIN-2-YL}PHENOL, SERINE/THREONINE-PROTEIN KINASE CHK2 | | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | | Deposit date: | 2010-07-26 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
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2WTC
 | | CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR | | Descriptor: | 4-[2-AMINO-5-(4-HYDROXY-3-METHOXYPHENYL)PYRIDIN-3-YL]BENZAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2009-09-15 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2
Bioorg.Med.Chem., 18, 2010
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2XM9
 | | Structure of a small molecule inhibitor with the kinase domain of Chk2 | | Descriptor: | 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | | Deposit date: | 2010-07-26 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
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9FWG
 | | LSD1/CoREST bound to bomedemstat | | Descriptor: | Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1 | | Authors: | Speranzini, V, Mattevi, A. | | Deposit date: | 2024-06-30 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models.
Prostate, 84, 2024
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2XBJ
 | | Crystal Structure of Chk2 in complex with an inhibitor | | Descriptor: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, NITRATE ION, ... | | Authors: | Anderson, V.E, Walton, M.I, Eve, P.D, Caldwell, J.J, Pearl, L.H, Oliver, A.W, Collins, I, Garrett, M.D. | | Deposit date: | 2010-04-12 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
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