1NVQ
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![BU of 1nvq by Molmil](/molmil-images/mine/1nvq) | The Complex Structure Of Checkpoint Kinase Chk1/UCN-01 | Descriptor: | 7-HYDROXYSTAUROSPORINE, Peptide ASVSA, SULFATE ION, ... | Authors: | Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B. | Deposit date: | 2003-02-04 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Chk1 Inhibition by UCN-01 J.Biol.Chem., 277, 2002
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1NVR
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![BU of 1nvr by Molmil](/molmil-images/mine/1nvr) | The Complex Structure Of Checkpoint Kinase Chk1/Staurosporine | Descriptor: | Peptide ASVSA, STAUROSPORINE, SULFATE ION, ... | Authors: | Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B. | Deposit date: | 2003-02-04 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Chk1 Inhibition by UCN-01 J.Biol.Chem., 277, 2002
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1NVS
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![BU of 1nvs by Molmil](/molmil-images/mine/1nvs) | The Complex Structure Of Checkpoint Kinase Chk1/SB218078 | Descriptor: | Peptide ASVSA, REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE, SULFATE ION, ... | Authors: | Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B. | Deposit date: | 2003-02-04 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Chk1 Inhibition by UCN-01 J.Biol.Chem., 277, 2002
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3KKV
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![BU of 3kkv by Molmil](/molmil-images/mine/3kkv) | Structure of PKA with a protein Kinase B-selective inhibitor. | Descriptor: | (2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine, PKI kinase inhibitor, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Elkins, P.A, Concha, N.O. | Deposit date: | 2009-11-06 | Release date: | 2010-12-22 | Last modified: | 2014-12-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of PKA with a protein Kinase B-selective inhibitor. To be Published
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1A8A
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![BU of 1a8a by Molmil](/molmil-images/mine/1a8a) | RAT ANNEXIN V COMPLEXED WITH GLYCEROPHOSPHOSERINE | Descriptor: | ANNEXIN V, CALCIUM ION, L-ALPHA-GLYCEROPHOSPHORYLSERINE | Authors: | Swairjo, M.A, Concha, N.O, Kaetzel, M.A, Dedman, J.R, Seaton, B.A. | Deposit date: | 1998-03-23 | Release date: | 1998-06-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ca(2+)-bridging mechanism and phospholipid head group recognition in the membrane-binding protein annexin V. Nat.Struct.Biol., 2, 1995
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1A8B
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![BU of 1a8b by Molmil](/molmil-images/mine/1a8b) | RAT ANNEXIN V COMPLEXED WITH GLYCEROPHOSPHOETHANOLAMINE | Descriptor: | ANNEXIN V, CALCIUM ION, L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE | Authors: | Swairjo, M.A, Concha, N.O, Kaetzel, M.A, Dedman, J.R, Seaton, B.A. | Deposit date: | 1998-03-23 | Release date: | 1998-06-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ca(2+)-bridging mechanism and phospholipid head group recognition in the membrane-binding protein annexin V. Nat.Struct.Biol., 2, 1995
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5DE1
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![BU of 5de1 by Molmil](/molmil-images/mine/5de1) | Crystal structure of human IDH1 in complex with GSK321A | Descriptor: | (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Concha, N.O, Smallwood, A, Qi, H. | Deposit date: | 2015-08-25 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia. Nat.Chem.Biol., 11, 2015
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7T0O
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![BU of 7t0o by Molmil](/molmil-images/mine/7t0o) | |
6DXL
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![BU of 6dxl by Molmil](/molmil-images/mine/6dxl) | Linked amidobenzimidazole STING agonist | Descriptor: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein | Authors: | Concha, N.O. | Deposit date: | 2018-06-29 | Release date: | 2018-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
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6DXG
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![BU of 6dxg by Molmil](/molmil-images/mine/6dxg) | amidobenzimidazole (ABZI) STING agonists | Descriptor: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein | Authors: | Concha, N.O. | Deposit date: | 2018-06-28 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
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5KH5
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![BU of 5kh5 by Molmil](/molmil-images/mine/5kh5) | |
5KH4
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![BU of 5kh4 by Molmil](/molmil-images/mine/5kh4) | |
5KH2
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![BU of 5kh2 by Molmil](/molmil-images/mine/5kh2) | |
4L03
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![BU of 4l03 by Molmil](/molmil-images/mine/4l03) | |
4L04
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![BU of 4l04 by Molmil](/molmil-images/mine/4l04) | |
4L06
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![BU of 4l06 by Molmil](/molmil-images/mine/4l06) | |
4KZO
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![BU of 4kzo by Molmil](/molmil-images/mine/4kzo) | |
8SYC
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![BU of 8syc by Molmil](/molmil-images/mine/8syc) | Crystal structure of PDE3B in complex with GSK4394835A | Descriptor: | MAGNESIUM ION, [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | Authors: | Concha, N.O, Nolte, R. | Deposit date: | 2023-05-25 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library. J.Med.Chem., 67, 2024
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7T0R
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![BU of 7t0r by Molmil](/molmil-images/mine/7t0r) | Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ... | Authors: | Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X. | Deposit date: | 2021-11-30 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment. J.Mol.Biol., 434, 2021
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4ZNB
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![BU of 4znb by Molmil](/molmil-images/mine/4znb) | METALLO-BETA-LACTAMASE (C181S MUTANT) | Descriptor: | METALLO-BETA-LACTAMASE, SODIUM ION, ZINC ION | Authors: | Li, Z, Herzberg, O. | Deposit date: | 1998-10-20 | Release date: | 1999-06-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural consequences of the active site substitution Cys181 --> Ser in metallo-beta-lactamase from Bacteroides fragilis. Protein Sci., 8, 1999
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