9B57
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9ATC
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![BU of 9atc by Molmil](/molmil-images/mine/9atc) | ATCASE Y165F MUTANT | Descriptor: | ASPARTATE TRANSCARBAMOYLASE, ZINC ION | Authors: | Ha, Y, Allewell, N.M. | Deposit date: | 1998-06-26 | Release date: | 1999-07-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Intersubunit hydrogen bond acts as a global molecular switch in Escherichia coli aspartate transcarbamoylase. Proteins, 33, 1998
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8X9G
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![BU of 8x9g by Molmil](/molmil-images/mine/8x9g) | Crystal structure of CO dehydrogenase mutant in complex with BV | Descriptor: | 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium, Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(4) CLUSTER, ... | Authors: | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | Deposit date: | 2023-11-30 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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9B9O
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![BU of 9b9o by Molmil](/molmil-images/mine/9b9o) | Crystal structure of FlcD from Pseudomonas aeruginosa bond to iron(II) and substrate | Descriptor: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (II) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | Deposit date: | 2024-04-02 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme Acs Cent.Sci., 2024
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9B5A
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8WZQ
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![BU of 8wzq by Molmil](/molmil-images/mine/8wzq) | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with CCF0058981 | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | Authors: | Zou, X.F, Jiang, H.H, Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2023-11-02 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981. Biochem.Biophys.Res.Commun., 692, 2024
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8VCW
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![BU of 8vcw by Molmil](/molmil-images/mine/8vcw) | X-Ray Crystal Structure of the biotin synthase from B. obeum | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, Biotin synthase, ... | Authors: | Lachowicz, J.C, Grove, T.L. | Deposit date: | 2023-12-14 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Discovery of a Biotin Synthase That Utilizes an Auxiliary 4Fe-5S Cluster for Sulfur Insertion. J.Am.Chem.Soc., 146, 2024
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8WQI
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8W7N
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![BU of 8w7n by Molmil](/molmil-images/mine/8w7n) | Crystal structure of the in-cell Cry1Aa purified from Bacillus thuringiensis | Descriptor: | Pesticidal crystal protein Cry1Aa, UNKNOWN ATOM OR ION | Authors: | Tanaka, J, Abe, S, Hayakawa, T, Kojima, M, Yamashita, K, Hirata, K, Ueno, T. | Deposit date: | 2023-08-31 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Crystal structure of the in-cell Cry1Aa purified from Bacillus thuringiensis. Biochem.Biophys.Res.Commun., 685, 2023
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6XRV
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8XCQ
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8XDP
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![BU of 8xdp by Molmil](/molmil-images/mine/8xdp) | O-methyltransferase from Lycoris longituba complexed with Mg, SAH, and 3,4-dihydroxybenzaldehyde | Descriptor: | GLYCEROL, MAGNESIUM ION, Protocatechuic aldehyde, ... | Authors: | Saw, Y.Y.H, Nakashima, Y, Morita, H. | Deposit date: | 2023-12-11 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases Acs Catalysis, 2024
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9B5C
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8WFC
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8WZT
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![BU of 8wzt by Molmil](/molmil-images/mine/8wzt) | SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 1 microsecond after photoexcitation at RT. | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T. | Deposit date: | 2023-11-02 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography. Nat Commun, 15, 2024
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8WCR
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![BU of 8wcr by Molmil](/molmil-images/mine/8wcr) | Cryo-EM structure of nanodisc (PE:PS:PC) reconstituted GLIC at pH 4 in open state | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHLORIDE ION, Proton-gated ion channel | Authors: | Bharambe, N, Li, Z, Basak, S. | Deposit date: | 2023-09-13 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Cryo-EM structures of prokaryotic ligand-gated ion channel GLIC provide insights into gating in a lipid environment. Nat Commun, 15, 2024
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9G34
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![BU of 9g34 by Molmil](/molmil-images/mine/9g34) | The HIV protease inhibitor darunavir binding to the active site of Cryphonectria parasitica endothiapepsin | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Falke, S, Senst, J.M, Guenther, S, Meents, A. | Deposit date: | 2024-07-11 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The HIV protease inhibitor darunavir binding to the active site of Cryphonectria
parasitica endothiapepsin To Be Published
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8VC2
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![BU of 8vc2 by Molmil](/molmil-images/mine/8vc2) | CryoEM structure of insect gustatory receptor BmGr9 in the presence of fructose | Descriptor: | (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, Gustatory receptor | Authors: | Frank, H.M, Walsh Jr, R.M, Garrity, P.A, Gaudet, R. | Deposit date: | 2023-12-13 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Structure of an insect gustatory receptor. Biorxiv, 2023
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8XCU
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![BU of 8xcu by Molmil](/molmil-images/mine/8xcu) | Cryo-EM structure of Glutamate dehydrogenase from Thermococcus profundus incorporating NADPH, AKG and GLU in the steady stage of reaction | Descriptor: | 2-OXOGLUTARIC ACID, GAMMA-L-GLUTAMIC ACID, Glutamate dehydrogenase, ... | Authors: | Wakabayashi, T, Oide, M, Nakasako, M. | Deposit date: | 2023-12-10 | Release date: | 2023-12-27 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | CryoEM-sampling of metastable conformations appearing in cofactor-ligand association and catalysis of glutamate dehydrogenase. Sci Rep, 14, 2024
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9FQH
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![BU of 9fqh by Molmil](/molmil-images/mine/9fqh) | E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1) | Descriptor: | 8-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2024-06-17 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design To be published
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8WJ2
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![BU of 8wj2 by Molmil](/molmil-images/mine/8wj2) | cryo-EM structure of human haemoglobin in deoxy form | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H. | Deposit date: | 2023-09-25 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM. Nat Commun, 15, 2024
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9B5H
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8WA9
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![BU of 8wa9 by Molmil](/molmil-images/mine/8wa9) | Human transketolase soaked with donor ketose D-fructose | Descriptor: | 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, ... | Authors: | Liu, Z, Tittmann, K, Dai, S. | Deposit date: | 2023-09-07 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis Acs Catalysis, 14, 2024
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8XCO
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8W6A
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