2BQV
| HIV-1 protease in complex with inhibitor AHA455 | Descriptor: | 6-AMINO HEXANOIC ACID, HIV-1 PROTEASE | Authors: | Unge, T, Ekegren, J.K, Schenk, H.V, Zreik Safa, M, Wallberg, H, Samuelsson, B, Hallberg, A. | Deposit date: | 2005-04-28 | Release date: | 2005-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A New Class of HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimicking Scaffold. J.Med.Chem., 48, 2005
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1GZ9
| High-Resolution Crystal Structure of Erythrina cristagalli Lectin in Complex with 2'-alpha-L-Fucosyllactose | Descriptor: | CALCIUM ION, ERYTHRINA CRISTA-GALLI LECTIN, MANGANESE (II) ION, ... | Authors: | Svensson, C, Teneberg, S, Nilsson, C.L, Kjellberg, A, Schwarz, F.P, Sharon, N, Krengel, U. | Deposit date: | 2002-05-17 | Release date: | 2002-06-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High-Resolution Crystal Structures of Erythrina Cristagalli Lectin in Complex with Lactose and 2'-Alpha-L-Fucosyllactose and Correlation with Thermodynamic Binding Data J.Mol.Biol., 321, 2002
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5JA0
| Crystal structure of human FPPS with allosterically bound FPP | Descriptor: | FARNESYL DIPHOSPHATE, Farnesyl pyrophosphate synthase, PHOSPHATE ION | Authors: | Park, J, Zielinski, M, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2016-04-11 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Human farnesyl pyrophosphate synthase is allosterically inhibited by its own product. Nat Commun, 8, 2017
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6EHR
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5JV0
| Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-038 | Descriptor: | Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2016-05-10 | Release date: | 2017-03-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase. J. Med. Chem., 60, 2017
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5JV1
| Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-066 | Descriptor: | Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2016-05-10 | Release date: | 2017-03-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase. J. Med. Chem., 60, 2017
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6C57
| Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in complex with bisphosphonate inhibitor FV0109 | Descriptor: | Geranylgeranyl pyrophosphate synthase, {[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) | Authors: | Park, J, Bin, X, Vincent, F, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2018-01-15 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Unraveling the Prenylation-Cancer Paradox in Multiple Myeloma with Novel Geranylgeranyl Pyrophosphate Synthase (GGPPS) Inhibitors. J. Med. Chem., 61, 2018
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6C56
| Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in its Apo form | Descriptor: | Geranylgeranyl pyrophosphate synthase, {[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) | Authors: | Park, J, Ta, V, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2018-01-15 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Unraveling the Prenylation-Cancer Paradox in Multiple Myeloma with Novel Geranylgeranyl Pyrophosphate Synthase (GGPPS) Inhibitors. J. Med. Chem., 61, 2018
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4XQR
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4ZS7
| Structural mimicry of receptor interaction by antagonistic IL-6 antibodies | Descriptor: | Interleukin-6, Llama Fab fragment 68F2 heavy chain, Llama Fab fragment 68F2 light chain | Authors: | Blanchetot, C, De Jonge, N, Desmyter, A, Ongenae, N, Hofman, E, Klarenbeek, A, Sadi, A, Hultberg, A, Kretz-Rommel, A, Spinelli, S, Loris, R, Cambillau, C, de Haard, H. | Deposit date: | 2015-05-13 | Release date: | 2016-05-04 | Last modified: | 2016-07-06 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Structural Mimicry of Receptor Interaction by Antagonistic Interleukin-6 (IL-6) Antibodies. J.Biol.Chem., 291, 2016
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4XQT
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4XQS
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5CFT
| Crystal Structure of ANT(2")-Ia in complex with AMPCPP and gentamicin C1 | Descriptor: | Aminoglycoside Nucleotidyltransferase (2")-Ia, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HEXAETHYLENE GLYCOL, ... | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | Deposit date: | 2015-07-08 | Release date: | 2016-03-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design. Acs Chem.Biol., 11, 2016
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5CFU
| Crystal Structure of ANT(2")-Ia in complex with adenylyl-2"-tobramycin | Descriptor: | 1,4-BUTANEDIOL, Aminoglycoside Nucleotidyltransferase (2")-Ia, MANGANESE (II) ION, ... | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | Deposit date: | 2015-07-08 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Revisiting the Catalytic Cycle and Kinetic Mechanism of AminoglycosideO-Nucleotidyltransferase(2′′): A Structural and Kinetic Study. Acs Chem.Biol., 2020
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5CFS
| Crystal Structure of ANT(2")-Ia in complex with AMPCPP and tobramycin | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, AAD(2''),Gentamicin 2''-nucleotidyltransferase,Gentamicin resistance protein, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | Deposit date: | 2015-07-08 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design. Acs Chem.Biol., 11, 2016
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1M8H
| inducible nitric oxide synthase with 6-nitroindazole bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1M9K
| Human Endothelial Nitric Oxide Synthase with 7-Nitroindazole Bound | Descriptor: | 7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1M9Q
| human endothelial nitric oxide synthase with 5-nitroindazole bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-NITROINDAZOLE, ISOPROPYL ALCOHOL, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1M8D
| inducible nitric oxide synthase with Chlorzoxazone bound | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORZOXAZONE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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8SXN
| Structure of NLRP3 and NEK7 complex | Descriptor: | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | Authors: | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | Deposit date: | 2023-05-22 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (4.04 Å) | Cite: | Cryo-EM structures of NLRP3 reveal its self-activation mechanism Nat Commun, 2024
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1M9T
| Inducible Nitric Oxide Synthase with 3-Bromo-7-Nitroindazole bound | Descriptor: | 1,2-ETHANEDIOL, 3-BROMO-7-NITROINDAZOLE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-09-05 | Release date: | 2002-09-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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6EHP
| The crystal structure of the human LAMTOR complex | Descriptor: | CHLORIDE ION, Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, ... | Authors: | Scheffzek, K, Naschberger, A. | Deposit date: | 2017-09-14 | Release date: | 2017-10-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the human lysosomal mTORC1 scaffold complex and its impact on signaling. Science, 358, 2017
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1M9J
| human endothelial nitric oxide synthase with chlorzoxazone bound | Descriptor: | CHLORZOXAZONE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1M8E
| inducible nitric oxide synthase with 7-nitroindazole bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1M9M
| human endothelial nitric oxide synthase with 6-nitroindazole bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-NITROINDAZOLE, ISOPROPYL ALCOHOL, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-29 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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