7VRQ
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![BU of 7vrq by Molmil](/molmil-images/mine/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
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![BU of 7vsf by Molmil](/molmil-images/mine/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
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![BU of 7vs0 by Molmil](/molmil-images/mine/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
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![BU of 7vrk by Molmil](/molmil-images/mine/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
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![BU of 7vrh by Molmil](/molmil-images/mine/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
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![BU of 7vs1 by Molmil](/molmil-images/mine/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
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![BU of 7vri by Molmil](/molmil-images/mine/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
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![BU of 7vrz by Molmil](/molmil-images/mine/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
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![BU of 7eqx by Molmil](/molmil-images/mine/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
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![BU of 7zvd by Molmil](/molmil-images/mine/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
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![BU of 5tio by Molmil](/molmil-images/mine/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
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![BU of 5tin by Molmil](/molmil-images/mine/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
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![BU of 5vp3 by Molmil](/molmil-images/mine/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
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![BU of 7v05 by Molmil](/molmil-images/mine/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
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![BU of 7uym by Molmil](/molmil-images/mine/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
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![BU of 7uyl by Molmil](/molmil-images/mine/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
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![BU of 7e9j by Molmil](/molmil-images/mine/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
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![BU of 7e9l by Molmil](/molmil-images/mine/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
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![BU of 7e9k by Molmil](/molmil-images/mine/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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![BU of 5ssx by Molmil](/molmil-images/mine/5ssx) | |
5SSY
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![BU of 5ssy by Molmil](/molmil-images/mine/5ssy) | |
7LB5
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![BU of 7lb5 by Molmil](/molmil-images/mine/7lb5) | |
7LB6
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![BU of 7lb6 by Molmil](/molmil-images/mine/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
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![BU of 7lx2 by Molmil](/molmil-images/mine/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
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![BU of 7lx3 by Molmil](/molmil-images/mine/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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