8Q93
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![BU of 8q93 by Molmil](/molmil-images/mine/8q93) | Crystal structure of the SARS-COV-2 RBD with neutralizing-VHHs Re30H02 and Re21D01 | Descriptor: | Nanobody Re21D01, Nanobody Re30H02, Spike protein S1 | Authors: | Aksu, M, Guttler, T, Rymarenko, O, Gorlich, D. | Deposit date: | 2023-08-19 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters. Antiviral Res., 221, 2023
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8Q95
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![BU of 8q95 by Molmil](/molmil-images/mine/8q95) | Crystal structure of the SARS-CoV-2 BA.1 RBD with neutralizing-VHHs Ma16B06 and Ma3F05 | Descriptor: | Nanobody Ma16B06, Nanobody Ma3F05, Spike protein S1 | Authors: | Aksu, M, Rymarenko, O, Guttler, T, Gorlich, D. | Deposit date: | 2023-08-19 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters. Antiviral Res., 221, 2023
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8Q94
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![BU of 8q94 by Molmil](/molmil-images/mine/8q94) | |
7OLZ
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![BU of 7olz by Molmil](/molmil-images/mine/7olz) | Crystal structure of the SARS-CoV-2 RBD with neutralizing-VHHs Re5D06 and Re9F06 | Descriptor: | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, Nanobody Re5D06, Nanobody Re9F06, ... | Authors: | Aksu, M, Guttler, T, Gorlich, D. | Deposit date: | 2021-05-20 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies. Embo J., 40, 2021
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7ON5
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![BU of 7on5 by Molmil](/molmil-images/mine/7on5) | Crystal structure of the SARS-CoV-2 neutralizing nanobody Re5D06 | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Nanobody Re5D06 | Authors: | Aksu, M, Guttler, T, Gorlich, D. | Deposit date: | 2021-05-25 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies. Embo J., 40, 2021
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7P98
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![BU of 7p98 by Molmil](/molmil-images/mine/7p98) | Cyclohex-1-ene-1-carboxyl-CoA dehydrogenase in a substrate-free state | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Short-chain acyl-CoA dehydrogenase | Authors: | Ermler, U, Weidenweber, S, Boll, M. | Deposit date: | 2021-07-26 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Cyclic 1,3-Diene Forming Acyl-Coenzyme A Dehydrogenases. Chembiochem, 22, 2021
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7P9X
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![BU of 7p9x by Molmil](/molmil-images/mine/7p9x) | Structure of cyclohex-1-ene-1-carboxyl-CoA dehydrogenase complexed with cyclohex-1-ene-1-carboxyl-CoA | Descriptor: | 1-monoenoyl-CoA, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Ermler, U, Weidenweber, S, Boll, M. | Deposit date: | 2021-07-28 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis of Cyclic 1,3-Diene Forming Acyl-Coenzyme A Dehydrogenases. Chembiochem, 22, 2021
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7P9A
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![BU of 7p9a by Molmil](/molmil-images/mine/7p9a) | Structure of cyclohex-1-ene-1-carboxyl-CoA dehydrogenase complexed with cyclohex-1,5-diene-1-carboxyl-CoA | Descriptor: | 1,5 Dienoyl-CoA, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Ermler, U, Weidenweber, S, Boll, M. | Deposit date: | 2021-07-26 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis of Cyclic 1,3-Diene Forming Acyl-Coenzyme A Dehydrogenases. Chembiochem, 22, 2021
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4Z3L
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![BU of 4z3l by Molmil](/molmil-images/mine/4z3l) | |
6RV2
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![BU of 6rv2 by Molmil](/molmil-images/mine/6rv2) | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-30 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule. Nature, 582, 2020
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6SPX
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![BU of 6spx by Molmil](/molmil-images/mine/6spx) | Structure of protein kinase CK2 catalytic subunit in complex with the CK2beta-competitive bisubstrate inhibitor ARC1502 | Descriptor: | 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid, ARC1502, Casein kinase II subunit alpha | Authors: | Niefind, K, Schnitzler, A. | Deposit date: | 2019-09-03 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2. Bioorg.Chem., 96, 2020
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6RV4
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![BU of 6rv4 by Molmil](/molmil-images/mine/6rv4) | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 2341237 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, POTASSIUM ION, ... | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-30 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule. Nature, 582, 2020
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6RV3
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![BU of 6rv3 by Molmil](/molmil-images/mine/6rv3) | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-30 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule. Nature, 582, 2020
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6SPW
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![BU of 6spw by Molmil](/molmil-images/mine/6spw) | Structure of protein kinase CK2 catalytic subunit with the CK2beta-competitive bisubstrate inhibitor ARC3140 | Descriptor: | 8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid, ARC3140, Casein kinase II subunit alpha, ... | Authors: | Niefind, K, Schnitzler, A. | Deposit date: | 2019-09-03 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2. Bioorg.Chem., 96, 2020
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7XAD
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![BU of 7xad by Molmil](/molmil-images/mine/7xad) | Crystal strucutre of PD-L1 and DBL2_02 designed protein binder | Descriptor: | DBL2_02 binder, Programmed cell death 1 ligand 1 | Authors: | Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G. | Deposit date: | 2022-03-17 | Release date: | 2023-04-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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1AUU
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![BU of 1auu by Molmil](/molmil-images/mine/1auu) | |
7ZSD
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![BU of 7zsd by Molmil](/molmil-images/mine/7zsd) | cryo-EM structure of omicron spike in complex with de novo designed binder, local | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | Deposit date: | 2022-05-06 | Release date: | 2023-03-01 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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7ZSS
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![BU of 7zss by Molmil](/molmil-images/mine/7zss) | cryo-EM structure of D614 spike in complex with de novo designed binder | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | Deposit date: | 2022-05-08 | Release date: | 2023-03-01 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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7ZRV
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![BU of 7zrv by Molmil](/molmil-images/mine/7zrv) | cryo-EM structure of omicron spike in complex with de novo designed binder, full map | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, ... | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | Deposit date: | 2022-05-05 | Release date: | 2023-03-08 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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2I2S
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![BU of 2i2s by Molmil](/molmil-images/mine/2i2s) | Crystal Structure of the porcine CRW-8 rotavirus VP8* carbohydrate-recognising domain | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, GLYCEROL, ... | Authors: | Blanchard, H. | Deposit date: | 2006-08-16 | Release date: | 2007-04-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insight into Host Cell Carbohydrate-recognition by Human and Porcine Rotavirus from Crystal Structures of the Virion Spike Associated Carbohydrate-binding Domain (VP8*) J.Mol.Biol., 367, 2007
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8F73
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![BU of 8f73 by Molmil](/molmil-images/mine/8f73) | |
3FH5
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![BU of 3fh5 by Molmil](/molmil-images/mine/3fh5) | |
3FH8
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![BU of 3fh8 by Molmil](/molmil-images/mine/3fh8) | |
2DWR
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![BU of 2dwr by Molmil](/molmil-images/mine/2dwr) | |
1S6P
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![BU of 1s6p by Molmil](/molmil-images/mine/1s6p) | CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943 | Descriptor: | 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase] | Authors: | Das, K, Arnold, E. | Deposit date: | 2004-01-26 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants J.Med.Chem., 47, 2004
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