6I7F
| Dehaloperoxidase B from Amphitrite ornata - complex with 2,4-dichlorophenol | Descriptor: | 2,4-dichlorophenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography. Iucrj, 6, 2019
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4HES
| Structure of a Beta-Lactamase Class A-like Protein from Veillonella parvula. | Descriptor: | Beta-lactamase class A-like protein, FORMIC ACID, GLYCEROL, ... | Authors: | Cuff, M.E, Li, H, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-10-04 | Release date: | 2012-10-17 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a Beta-Lactamase Class A-like Protein from Veillonella parvula. TO BE PUBLISHED
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7UEQ
| PANK3 complex structure with compound PZ-4061 | Descriptor: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
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7UET
| PANK3 complex structure with compound PZ-4140 | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
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8W88
| Cryo-EM structure of the SEP363856-bound TAAR1-Gs complex | Descriptor: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | Deposit date: | 2023-09-01 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature, 624, 2023
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7UEV
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5LSV
| X-ray crystal structure of AA13 LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION, ... | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2016-09-05 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder. Acta Crystallogr D Struct Biol, 73, 2017
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7UEY
| PANK3 complex structure with compound PZ-4128 | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
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4H82
| Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor. | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Antoni, C, Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | Deposit date: | 2012-09-21 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4Z82
| Cysteine bound rat cysteine dioxygenase C164S variant at pH 8.1 | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION | Authors: | Fellner, M, Tchesnokov, E.P, Siakkou, E, Rutledge, M.T, Kanitz, M, Jameson, G.N.L, Wilbanks, S.M. | Deposit date: | 2015-04-08 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Influence of cysteine 164 on active site structure in rat cysteine dioxygenase. J.Biol.Inorg.Chem., 21, 2016
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5LVN
| Human PDK1 Kinase Domain in Complex with Adenosine Bound to the ATP-Binding Site | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENOSINE, CHLORIDE ION, ... | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.379 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
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8W87
| Cryo-EM structure of the METH-TAAR1 complex | Descriptor: | (2S)-N-methyl-1-phenylpropan-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | Deposit date: | 2023-09-01 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature, 624, 2023
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6I39
| Crystal structure of v31Pizza6-AYW, a circularly permuted designer protein | Descriptor: | MAGNESIUM ION, v31Pizza6-AYW | Authors: | Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D. | Deposit date: | 2018-11-05 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein. Protein Sci., 2020
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8W8A
| Cryo-EM structure of the RO5256390-TAAR1 complex | Descriptor: | (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | Deposit date: | 2023-09-01 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature, 624, 2023
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5K3A
| Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Both Protomers Reacted with Ligand | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | Deposit date: | 2016-05-19 | Release date: | 2017-02-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.511 Å) | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis. Science, 355, 2017
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7UEU
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7V0J
| Crystal structure of a CelR catalytic domain active site mutant with bound cellobiose product | Descriptor: | CALCIUM ION, Glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Bingman, C.A, Kuch, N, Kutsche, M.E, Parker, A, Smith, R.W, Fox, B.G. | Deposit date: | 2022-05-10 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR. J.Biol.Chem., 299, 2023
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7UEX
| PANK3 complex structure with compound PZ-4127 | Descriptor: | 1,2-ETHANEDIOL, 2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate, ACETATE ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties To Be Published
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6I5U
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7UJV
| Structure of PHD2 in complex with HIF2a-CODD | Descriptor: | Egl nine homolog 1, Endothelial PAS domain-containing protein 1, FE (III) ION, ... | Authors: | Ferens, F.G, Tarade, D, Lee, J.E, Ohh, M. | Deposit date: | 2022-03-31 | Release date: | 2023-04-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Deficiency in PHD2-mediated hydroxylation of HIF2 alpha underlies Pacak-Zhuang syndrome. Commun Biol, 7, 2024
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6I7C
| Dye type peroxidase Aa from Streptomyces lividans: imidazole complex | Descriptor: | Deferrochelatase/peroxidase, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography. Iucrj, 6, 2019
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5NGK
| The endo-beta1,6-glucanase BT3312 | Descriptor: | Glucosylceramidase | Authors: | Basle, A, Temple, M, Cuskin, F, Lowe, E, Gilbert, H. | Deposit date: | 2017-03-17 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Bacteroidetes locus dedicated to fungal 1,6-beta-glucan degradation: Unique substrate conformation drives specificity of the key endo-1,6-beta-glucanase. J. Biol. Chem., 292, 2017
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1VJ9
| Urokinase Plasminogen Activator B-Chain-JT464 Complex | Descriptor: | N-(BENZYLSULFONYL)-L-SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-O-BENZYL-L-SERINAMIDE, SULFATE ION, plasminogen activator, ... | Authors: | Schweinitz, A, Steinmetzer, T, Banke, I.J, Arlt, M.J.E, Stuerzebecher, A, Schuster, O, Geissler, A, Giersiefen, H, Zeslawska, E, Jacob, U, Kruger, A, Stuerzebecher, J. | Deposit date: | 2004-02-03 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of novel and selective inhibitors of urokinase-type plasminogen activator with improved pharmacokinetic properties for use as antimetastatic agents J.Biol.Chem., 279, 2004
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6B7D
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine | Descriptor: | 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine, DIMETHYL SULFOXIDE, POTASSIUM ION, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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8W89
| Cryo-EM structure of the PEA-bound TAAR1-Gs complex | Descriptor: | 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | Deposit date: | 2023-09-01 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature, 624, 2023
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