3HEQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3heq by Molmil](/molmil-images/mine/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
|
|
3HES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hes by Molmil](/molmil-images/mine/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: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation. Embo J., 29, 2010
|
|
3HER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3her by Molmil](/molmil-images/mine/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
|
|
3HJ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hj5 by Molmil](/molmil-images/mine/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: | 2017-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation. Embo J., 29, 2010
|
|
3HJX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hjx by Molmil](/molmil-images/mine/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: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation. Embo J., 29, 2010
|
|
3HAK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hak by Molmil](/molmil-images/mine/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: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation. Embo J., 29, 2010
|
|
3HAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3haf by Molmil](/molmil-images/mine/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
|
|
1RR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rr2 by Molmil](/molmil-images/mine/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
|
|
1S3H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1s3h by Molmil](/molmil-images/mine/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
|
|
1RQE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rqe by Molmil](/molmil-images/mine/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
|
|
1RQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rqb by Molmil](/molmil-images/mine/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
|
|
1RQH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rqh by Molmil](/molmil-images/mine/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
|
|
1U5J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1u5j by Molmil](/molmil-images/mine/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
|
|
2WTI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wti by Molmil](/molmil-images/mine/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
|
|
2WTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wtd by Molmil](/molmil-images/mine/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
|
|
2WTJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wtj by Molmil](/molmil-images/mine/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
|
|
2WTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wtc by Molmil](/molmil-images/mine/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
|
|
2XM8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xm8 by Molmil](/molmil-images/mine/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
|
|
2XM9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xm9 by Molmil](/molmil-images/mine/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
|
|
9FWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fwg by Molmil](/molmil-images/mine/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
|
|
2XBJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xbj by Molmil](/molmil-images/mine/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
|
|