7VRQ
 
 | | crystal structure of BRD2-BD2 in complex with purine derivative | | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, THEOBROMINE | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-23 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VSF
 | | crystal structure of BRD2-BD1 in complex with purine derivative | | Descriptor: | 3-methyl-7-propyl-purine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing protein 2, ... | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-26 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VS0
 | | crystal structure of BRD2-BD2 in complex with purine derivative | | Descriptor: | Bromodomain-containing protein 2, Doxofylline, GLYCEROL | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-25 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VRK
 | | crystal structure of BRD2-BD1 in complex with purine derivative | | Descriptor: | Bromodomain-containing protein 2, SULFATE ION, THEOPHYLLINE | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-23 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VRH
 | | crystal structure of BRD2-BD1 in complex with guanosine analog | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2, ... | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-22 | | Release date: | 2023-02-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VS1
 | | crystal structure of BRD2-BD2 in complex with purine derivative | | Descriptor: | 3-methyl-7-propyl-purine-2,6-dione, Bromodomain-containing protein 2, GLYCEROL | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-25 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VRI
 | | crystal structure of BRD2-BD2 in complex with guanosine analog | | Descriptor: | 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2 | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-23 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7VRZ
 | | crystal structure of BRD2-BD1 in complex with purine derivative | | Descriptor: | Bromodomain-containing protein 2, Doxofylline, SULFATE ION | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | | Deposit date: | 2021-10-25 | | Release date: | 2023-02-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
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7EQX
 | | Crystal structure of an Aedes aegypti procarboxypeptidase B1 | | Descriptor: | Carboxypeptidase B, ZINC ION | | Authors: | Choong, Y.K, Gavor, E, Jobichen, C, Sivaraman, J. | | Deposit date: | 2021-05-05 | | Release date: | 2021-11-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure of Aedes aegypti procarboxypeptidase B1 and its binding with Dengue virus for controlling infection.
Life Sci Alliance, 5, 2022
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7ZVD
 | | K89 acetylated glucose-6-phosphate dehydrogenase (G6PD) in a complex with structural NADP+ | | Descriptor: | Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wu, F, Muskat, N.H, Nudelman, H, Shahar, A, Arbely, E. | | Deposit date: | 2022-05-15 | | Release date: | 2023-08-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Acetylation-dependent coupling between G6PD activity and apoptotic signaling.
Nat Commun, 14, 2023
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5TIO
 | | Crystal Structure of Human Glycine Receptor alpha-3 Bound to AM-3607 | | Descriptor: | (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | | Authors: | Shaffer, P.L, Huang, X, Chen, H. | | Deposit date: | 2016-10-03 | | Release date: | 2017-01-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain
To Be Published
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5TIN
 | | Crystal Structure of Human Glycine Receptor alpha-3 Mutant N38Q Bound to AM-3607 | | Descriptor: | (3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one, CHLORIDE ION, GLYCINE, ... | | Authors: | Shaffer, P.L, Huang, X, Chen, H. | | Deposit date: | 2016-10-03 | | Release date: | 2017-01-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal Structures of Human GlyRa3 Bound to a Novel Class of Potentiators with Efficacy in a Mouse Model of Neuropathic Pain
To Be Published
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5VP3
 | | Light-sensitive photoprotein | | Descriptor: | CADMIUM ION, Mnemiopsin 1, NICKEL (II) ION, ... | | Authors: | Gorman, M.A, Parker, M.W. | | Deposit date: | 2017-05-04 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Reaction mechanism of the bioluminescent protein mnemiopsin1 revealed by X-ray crystallography and QM/MM simulations.
J. Biol. Chem., 294, 2019
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7V05
 | | Complex of Plasmodium falciparum circumsporozoite protein with 850 Fab | | Descriptor: | 850 Fab Heavy Chain, 850 Fab Light Chain, Circumsporozoite protein | | Authors: | Kucharska, I, Prieto, K, Rubinstein, J.L, Julien, J.P. | | Deposit date: | 2022-05-09 | | Release date: | 2022-11-23 | | Last modified: | 2022-12-14 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | High-density binding to Plasmodium falciparum circumsporozoite protein repeats by inhibitory antibody elicited in mouse with human immunoglobulin repertoire.
Plos Pathog., 18, 2022
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7UYM
 | | 850 Fab in complex with NANPNANPNANP peptide | | Descriptor: | 850 Fab Heavy Chain, 850 Fab Light Chain, Circumsporozoite protein, ... | | Authors: | Kucharska, I, Prieto, K, Julien, J.P. | | Deposit date: | 2022-05-06 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | High-density binding to Plasmodium falciparum circumsporozoite protein repeats by inhibitory antibody elicited in mouse with human immunoglobulin repertoire.
Plos Pathog., 18, 2022
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7UYL
 | | 850 Fab | | Descriptor: | 850 Fab Heavy Chain, 850 Fab Light Chain, GLYCEROL, ... | | Authors: | Kucharska, I, Prieto, K, Julien, J.P. | | Deposit date: | 2022-05-06 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-density binding to Plasmodium falciparum circumsporozoite protein repeats by inhibitory antibody elicited in mouse with human immunoglobulin repertoire.
Plos Pathog., 18, 2022
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7E9J
 | | Crystal Structure of POMGNT2 in complex with UDP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2, ... | | Authors: | Kuwabara, N. | | Deposit date: | 2021-03-04 | | Release date: | 2021-05-05 | | Last modified: | 2021-07-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structure of POMGNT2 provides new insights into the mechanism to determine the functional O-mannosylation site on alpha-dystroglycan.
Genes Cells, 26, 2021
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7E9L
 | | Crystal Structure of POMGNT2 in complex with UDP and mono-mannosyl peptide (379Man short peptide) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuwabara, N. | | Deposit date: | 2021-03-04 | | Release date: | 2021-05-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of POMGNT2 provides new insights into the mechanism to determine the functional O-mannosylation site on alpha-dystroglycan.
Genes Cells, 26, 2021
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7E9K
 | | Crystal Structure of POMGNT2 in complex with UDP and mono-mannosyl peptide (379Man long peptide) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuwabara, N. | | Deposit date: | 2021-03-04 | | Release date: | 2021-05-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The structure of POMGNT2 provides new insights into the mechanism to determine the functional O-mannosylation site on alpha-dystroglycan.
Genes Cells, 26, 2021
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5SSX
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5SSY
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7LB5
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7LB6
 | | PDX1.2/PDX1.3 co-expression complex | | Descriptor: | Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2 | | Authors: | Novikova, I.V, Evans, J.E. | | Deposit date: | 2021-01-07 | | Release date: | 2021-09-22 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Tunable Heteroassembly of a Plant Pseudoenzyme-Enzyme Complex.
Acs Chem.Biol., 16, 2021
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7LX2
 | | Cryo-EM structure of ConSOSL.UFO.664 (ConS) in complex with bNAb PGT122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Env glycoprotein gp160, ... | | Authors: | Martin, G.M, Ward, A.B, Sattentau, Q.J. | | Deposit date: | 2021-03-03 | | Release date: | 2022-03-09 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
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7LX3
 | | Cryo-EM structure of EDC-crosslinked ConSOSL.UFO.664 (ConS-EDC) in complex with bNAb PGT122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Env glycoprotein gp160, ... | | Authors: | Martin, G.M, Ward, A.B, Sattentau, Q.J. | | Deposit date: | 2021-03-03 | | Release date: | 2022-03-09 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
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