7NN4
 
 | | Crystal structure of Mycobacterium tuberculosis ArgD with prosthetic group pyridoxal 5'-phosphate and 3-hydroxy-2-naphthoic acid. | | Descriptor: | 3-hydroxynaphthalene-2-carboxylic acid, Acetylornithine aminotransferase, NITRATE ION | | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | | Deposit date: | 2021-02-24 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NPJ
 | | Crystal structure of Mycobacterium tuberculosis ArgC in complex with 6-phenoxy-3-pyridinamine | | Descriptor: | 6-phenoxy-3-pyridinamine, N-acetyl-gamma-glutamyl-phosphate reductase | | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | | Deposit date: | 2021-02-27 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLO
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with L-arginine | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ARGININE, ... | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLZ
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 5-Methoxy-6-(trifluoromethyl)indole. | | Descriptor: | 5-methoxy-6-(trifluoromethyl)-1~{H}-indole, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.163 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NNC
 | | Crystal structure of Mycobacterium tuberculosis ArgD with prosthetic group pyridoxal-5'-phosphate and 6-Methoxyquinoline-3-carboxylic acid | | Descriptor: | 6-methoxyquinoline-3-carboxylic acid, Acetylornithine aminotransferase, NITRATE ION | | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | | Deposit date: | 2021-02-24 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NOT
 | | Crystal structure of Mycobacterium tuberculosis ArgC in complex with nicotinamide adenine dinucleotide phosphate (NADP+) and 5-Methoxy-3-indoleacetic acid | | Descriptor: | (5-methoxy-1H-indol-3-yl)acetic acid, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NP0
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-nitrophenyl)boronic acid. | | Descriptor: | Ornithine carbamoyltransferase, PHOSPHATE ION, p-nitrophenylboronic acid | | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | Deposit date: | 2021-02-26 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLP
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with L-canavanine | | Descriptor: | Acetylglutamate kinase, L-CANAVANINE, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.213 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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6ETE
 | | Crystal structure of KDM4D with tetrazolhydrazide compound 5 | | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, NICKEL (II) ION, ... | | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | | Deposit date: | 2017-10-26 | | Release date: | 2019-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.468 Å) | | Cite: | Crystal structure of KDM4D with tetrazolylhydrazide ligand NR128
To be published
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7NLX
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 7-(trifluoromethyl)quinolin-4-ol. | | Descriptor: | 7-(trifluoromethyl)quinolin-4-ol, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.234 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NM0
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 1-(2,6-dihydroxyphenyl)ethan-1-one. | | Descriptor: | 1,2-ETHANEDIOL, 1-[2,6-bis(oxidanyl)phenyl]ethanone, Acetylglutamate kinase, ... | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-23 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.281 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NNV
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with carbamoyl phosphate. | | Descriptor: | 1,2-ETHANEDIOL, Ornithine carbamoyltransferase, PHOSPHATE ION, ... | | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NNI
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7NOR
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with 2-fluoro-4-hydroxybenzonitrile. | | Descriptor: | 2-fluoro-4-hydroxybenzonitrile, Ornithine carbamoyltransferase, PHOSPHATE ION | | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLW
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-(5-methoxy-1H-indol-3-yl)acetonitrile | | Descriptor: | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NOV
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-methyl-3-nitrophenyl)boronic acid. | | Descriptor: | (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron, Ornithine carbamoyltransferase, PHOSPHATE ION | | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | Deposit date: | 2021-02-26 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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5NUU
 | | Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor | | Descriptor: | (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | | Deposit date: | 2017-05-02 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Eur.J.Med.Chem., 168, 2019
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7NLF
 | | Crystal structure of Mycobacterium tuberculosis ArgB in apo form. | | Descriptor: | 1,2-ETHANEDIOL, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NLU
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 1-(1H-indol-3-yl)ethan-1-one | | Descriptor: | 1-(1~{H}-indol-3-yl)ethanone, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.235 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NN7
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with dimethyl 5-hydroxyisophthalate. | | Descriptor: | 1,2-ETHANEDIOL, Acetylglutamate kinase, SULFATE ION, ... | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-24 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.172 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NNW
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with methyl 4-hydroxy-3-iodobenzoate. | | Descriptor: | Ornithine carbamoyltransferase, PHOSPHATE ION, methyl 3-iodanyl-4-oxidanyl-benzoate | | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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3GPW
 | | Crystal structure of the yeast 20S proteasome in complex with Salinosporamide derivatives: irreversible inhibitor ligand | | Descriptor: | (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Macherla, V.R, Manam, R.R, Arthur, K.A.M, Potts, C.B. | | Deposit date: | 2009-03-23 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
J.Med.Chem., 52, 2009
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1R8U
 | | NMR structure of CBP TAZ1/CITED2 complex | | Descriptor: | CREB-binding protein, Cbp/p300-interacting transactivator 2, ZINC ION | | Authors: | De Guzman, R.N, Martinez-Yamout, M, Dyson, H.J, Wright, P.E. | | Deposit date: | 2003-10-28 | | Release date: | 2004-03-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Interaction of the TAZ1 domain of the CREB-binding protein with the activation domain of CITED2: regulation by competition between intrinsically unstructured ligands for non-identical binding sites.
J.Biol.Chem., 279, 2004
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7E57
 | | Crystal structure of murine GITR-GITRL complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18, ... | | Authors: | Zhao, M, Tan, S, Fu, L, Chai, Y, Qi, J, Gao, G.F. | | Deposit date: | 2021-02-18 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.302 Å) | | Cite: | Atypical TNF-TNFR superfamily binding interface in the GITR-GITRL complex for T cell activation.
Cell Rep, 36, 2021
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7MYZ
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