5XD1
 
 | | Crystal structure of Mycobacterium smegmatis MutT1 in complex with Ap5A, ATP and magnesium | | Descriptor: | ADENOSINE-5'-PENTAPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Arif, S.M, Varshney, U, Vijayan, M. | | Deposit date: | 2017-03-24 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Hydrolysis of diadenosine polyphosphates. Exploration of an additional role of Mycobacterium smegmatis MutT1
J. Struct. Biol., 199, 2017
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7NBG
 | | Crystal structure of human serine racemase in complex with DSiP fragment Z52314092, XChem fragment screen. | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, ... | | Authors: | Koulouris, C.R, Roe, S.M. | | Deposit date: | 2021-01-26 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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7NBH
 | | Crystal structure of human serine racemase in complex with DSiP fragment Z26781964, XChem fragment screen. | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Koulouris, C.R, Roe, S.M. | | Deposit date: | 2021-01-26 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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7NBD
 | | Crystal structure of human serine racemase in complex with DSiP fragment Z235449082, XChem fragment screen. | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Koulouris, C.R, Roe, S.M. | | Deposit date: | 2021-01-26 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.865 Å) | | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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7NBC
 | | Crystal structure of human serine racemase in complex with DSiP fragment Z2856434779, XChem fragment screen. | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, ... | | Authors: | Koulouris, C.R, Roe, S.M. | | Deposit date: | 2021-01-26 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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7NBF
 | | Crystal structure of human serine racemase in complex with DSiP fragment Z126932614, XChem fragment screen. | | Descriptor: | 1,2-ETHANEDIOL, 2-[(methylsulfonyl)methyl]-1H-benzimidazole, CALCIUM ION, ... | | Authors: | Koulouris, C.R, Roe, S.M. | | Deposit date: | 2021-01-26 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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5XD5
 | | Crystal structure of Mycobacterium smegmatis MutT1 in complex with ATP, magnesium fluoride and phosphate | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, FLUORIDE ION, ... | | Authors: | Arif, S.M, Varshney, U, Vijayan, M. | | Deposit date: | 2017-03-24 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Hydrolysis of diadenosine polyphosphates. Exploration of an additional role of Mycobacterium smegmatis MutT1
J. Struct. Biol., 199, 2017
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6H3J
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6H38
 | | The crystal structure of human carbonic anhydrase VII in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. | | Descriptor: | 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | Deposit date: | 2018-07-17 | | Release date: | 2018-12-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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5XD4
 | | Crystal structure of Mycobacterium smegmatis MutT1 in complex with ATP (II) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Arif, S.M, Varshney, U, Vijayan, M. | | Deposit date: | 2017-03-24 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Hydrolysis of diadenosine polyphosphates. Exploration of an additional role of Mycobacterium smegmatis MutT1
J. Struct. Biol., 199, 2017
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6HF0
 | | M. tuberculosis DprE1 covalently bound to a nitrobenzoxacinone. | | Descriptor: | 2-[(2~{S},6~{R})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one, Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2018-08-21 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.384 Å) | | Cite: | Novel insight into the reaction of nitro, nitroso and hydroxylamino benzothiazinones and of benzoxacinones with Mycobacterium tuberculosis DprE1.
Sci Rep, 8, 2018
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6HIF
 | | Kuenenia stuttgartiensis hydrazine dehydrogenase complex | | Descriptor: | GLYCEROL, HEME C, Hydrazine dehydrogenase, ... | | Authors: | Akram, M, Dietl, A, Mersdorf, U, Prinz, S, Maalcke, W, Keltjens, J, Ferousi, C, de Almeida, N.M, Reimann, J, Kartal, B, Jetten, M.S.M, Parey, K, Barends, T.R.M. | | Deposit date: | 2018-08-29 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A 192-heme electron transfer network in the hydrazine dehydrogenase complex.
Sci Adv, 5, 2019
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5X3T
 | | VapBC from Mycobacterium tuberculosis | | Descriptor: | Antitoxin VapB26, MAGNESIUM ION, Ribonuclease VapC26 | | Authors: | Kang, S.M, Kim, D.H, Yoon, H.J, Lee, B.J. | | Deposit date: | 2017-02-07 | | Release date: | 2017-06-07 | | Last modified: | 2017-12-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Functional details of the Mycobacterium tuberculosis VapBC26 toxin-antitoxin system based on a structural study: insights into unique binding and antibiotic peptides.
Nucleic Acids Res., 45, 2017
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5XTU
 | | Crystal Structure of GDSL Esterase of Photobacterium sp. J15 | | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, CALCIUM ION, ... | | Authors: | Mazlan, S.N.H.S, Jonet, M.A, Leow, T.C, Ali, M.S.M, Rahman, R.N.Z.R.A. | | Deposit date: | 2017-06-21 | | Release date: | 2018-10-10 | | Last modified: | 2018-10-17 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Crystallization and structure elucidation of GDSL esterase of Photobacterium sp. J15.
Int. J. Biol. Macromol., 119, 2018
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6GJ0
 | | Human IMPase with Mn | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Inositol monophosphatase 1, ... | | Authors: | Kraft, L.V, Roe, S.M. | | Deposit date: | 2018-05-15 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Co-crystallization of human inositol monophosphatase with the lithium mimetic L-690,330.
Acta Crystallogr D Struct Biol, 74, 2018
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8P8A
 | | Structure of 5D3-Fab and nanobody(Nb17)-bound ABCG2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ... | | Authors: | Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P. | | Deposit date: | 2023-05-31 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies.
J.Mol.Biol., 435, 2023
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6HBU
 | | Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 2, MAGNESIUM ION | | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | | Deposit date: | 2018-08-13 | | Release date: | 2018-11-07 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states.
Nature, 563, 2018
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6HCO
 | | Cryo-EM structure of the ABCG2 E211Q mutant bound to estrone 3-sulfate and 5D3-Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ... | | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | | Deposit date: | 2018-08-15 | | Release date: | 2018-11-07 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states.
Nature, 563, 2018
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6HZM
 | | Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium (alternative placement of Magnesium into the cryo-EM density) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 2, MAGNESIUM ION | | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | | Deposit date: | 2018-10-23 | | Release date: | 2018-11-14 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states.
Nature, 563, 2018
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6HF3
 | | M tuberculosis DprE1 in complex with a covalently bound nitrobenzothiazinone | | Descriptor: | 2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form, Decaprenylphosphoryl-beta-D-ribose oxidase, ... | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2018-08-21 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel insight into the reaction of nitro, nitroso and hydroxylamino benzothiazinones and of benzoxacinones with Mycobacterium tuberculosis DprE1.
Sci Rep, 8, 2018
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6HEZ
 | | M tuberculosis DprE1 in complex with BTZ043 | | Descriptor: | 8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one, Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2018-08-21 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel insight into the reaction of nitro, nitroso and hydroxylamino benzothiazinones and of benzoxacinones with Mycobacterium tuberculosis DprE1.
Sci Rep, 8, 2018
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5XD2
 | | Crystal structure of Mycobacterium smegmatis MutT1 in complex with Ap5A, ATP and manganese | | Descriptor: | ADENOSINE-5'-PENTAPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Arif, S.M, Varshney, U, Vijayan, M. | | Deposit date: | 2017-03-24 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Hydrolysis of diadenosine polyphosphates. Exploration of an additional role of Mycobacterium smegmatis MutT1
J. Struct. Biol., 199, 2017
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5WW8
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5WWK
 | | Highly stable green fluorescent protein | | Descriptor: | Green fluorescent protein | | Authors: | Sriram, R, George, A, Kesavan, M, Jaimohan, S.M, Kamini, N.R, Easwaramoorthi, S, Ganesh, S, Gunasekaran, K, Ayyadurai, N. | | Deposit date: | 2017-01-02 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.199 Å) | | Cite: | Excited State Electronic Interconversion and Structural Transformation of Engineered Red-Emitting Green Fluorescent Protein Mutant.
J.Phys.Chem.B, 123, 2019
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6H34
 | | The crystal structure of human carbonic anhydrase II in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. | | Descriptor: | 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | Deposit date: | 2018-07-17 | | Release date: | 2018-12-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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