5GMM
 
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6UA1
 | | Crystal Structure of the metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in the no-metal bound form | | 分子名称: | 1,2-ETHANEDIOL, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase) | | 著者 | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2019-09-10 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of the metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in the no-metal bound form.
To Be Published
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4NW5
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8SLS
 | | Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and ambient pressure (0.1 MPa) | | 分子名称: | GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | 著者 | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | 登録日 | 2023-04-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
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6QTJ
 | | Crystal structure of human CDK8/CYCC in complex with BI 919811 | | 分子名称: | Cyclin-C, Cyclin-dependent kinase 8, ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide | | 著者 | Boettcher, J. | | 登録日 | 2019-02-25 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
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6BFD
 | | BACE crystal structure with hydroxy pyrrolidine inhibitor | | 分子名称: | 2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide, Beta-secretase 1, GLYCEROL | | 著者 | Timm, D.E. | | 登録日 | 2017-10-26 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
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7UU0
 | | Crystal structure of the BRD2-BD2 in complex with a ligand | | 分子名称: | 1,2-ETHANEDIOL, Isoform 3 of Bromodomain-containing protein 2, methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate | | 著者 | Kalra, P, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2022-04-28 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structure of the BRD2-BD2 in complex with a ligand
To Be Published
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5AEL
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597 | | 分子名称: | FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate) | | 著者 | Yang, G, Oldfield, E, No, J.H. | | 登録日 | 2014-12-26 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
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5J75
 | | Fluorogen Activating Protein AM2.2 in complex with ML342 | | 分子名称: | N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide, PHOSPHATE ION, scFv AM2.2 | | 著者 | Stanfield, R.L, Wilson, I.A, Wu, Y. | | 登録日 | 2016-04-05 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair.
J Biomol Screen, 21, 2016
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6BFW
 | | BACE crystal structure with hydroxy morpholine inhibitor | | 分子名称: | Beta-secretase 1, GLYCEROL, N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide | | 著者 | Timm, D.E. | | 登録日 | 2017-10-27 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017
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2AL4
 | | CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH quisqualate and CX614. | | 分子名称: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE, Glutamate receptor 2, ... | | 著者 | Jin, R, Clark, S, Weeks, A.M, Dudman, J.T, Gouaux, E, Partin, K.M. | | 登録日 | 2005-08-04 | | 公開日 | 2005-10-25 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Mechanism of positive allosteric modulators acting on AMPA receptors.
J.Neurosci., 25, 2005
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5A85
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-ylamino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one | | 分子名称: | (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one, 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Chung, C, Bamborough, P, Demont, E. | | 登録日 | 2015-07-11 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
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4O6F
 | | Structural Basis of Estrogen Receptor Alpha Methylation Mediated by Histone Methyltransferase SmyD2 | | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Estrogen receptor, N-lysine methyltransferase SMYD2, ... | | 著者 | Jiang, Y, Trescott, L, Holcomb, J, Brunzelle, J, Sirinupong, N, Shi, X, Yang, Z. | | 登録日 | 2013-12-20 | | 公開日 | 2014-03-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.822 Å) | | 主引用文献 | Structural Insights into Estrogen Receptor alpha Methylation by Histone Methyltransferase SMYD2, a Cellular Event Implicated in Estrogen Signaling Regulation.
J.Mol.Biol., 426, 2014
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5FMJ
 | | Bcl-xL with mouse Bak BH3 Q75L complex | | 分子名称: | 1,2-ETHANEDIOL, BAK1 PROTEIN, BCL-2-LIKE PROTEIN 1 | | 著者 | Fairlie, W.D, Lee, E.F, Smith, B.J. | | 登録日 | 2015-11-06 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
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2X4S
 | | Crystal structure of MHC CLass I HLA-A2.1 bound to a peptide representing the epitope of the H5N1 (Avian Flu) Nucleoprotein | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | | 著者 | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | | 登録日 | 2010-02-02 | | 公開日 | 2010-03-02 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals
J.Am.Chem.Soc., 131, 2009
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5J5T
 | | GLK co-crystal structure with aminopyrrolopyrimidine inhibitor | | 分子名称: | 5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine, Mitogen-activated protein kinase kinase kinase kinase 3 | | 著者 | Silvian, L.F, Marcotte, D. | | 登録日 | 2016-04-03 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Germinal-center kinase-like kinase co-crystal structure reveals a swapped activation loop and C-terminal extension.
Protein Sci., 26, 2017
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4NVL
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4ZFL
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6QPK
 | | Zt-KP6-1: an effector from Zymoseptoria tritici | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRIC ACID, SULFATE ION, ... | | 著者 | Padilla, A, Hoh, F, De guillen, K. | | 登録日 | 2019-02-14 | | 公開日 | 2020-03-04 | | 最終更新日 | 2025-01-29 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Zymoseptoria tritici effectors structurally related to killer proteins UmV-KP4 and UmV-KP6 are toxic to fungi, and define extended protein families in fungi
Biorxiv, 2024
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6ZSM
 | | Crystal structure of rsGCaMP double mutant Ile80His/Val116Ile in the ON state (non-illuminated) | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, FORMIC ACID, ... | | 著者 | Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D. | | 登録日 | 2020-07-16 | | 公開日 | 2021-10-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 40, 2022
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6F6Y
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1A42
 | | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE | | 分子名称: | (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | 著者 | Boriack-Sjodin, P.A, Christianson, D.W. | | 登録日 | 1998-02-10 | | 公開日 | 1999-03-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
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2X4O
 | | Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 envelope peptide env120-128 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, ENVELOPE GLYCOPROTEIN GP160, ... | | 著者 | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | | 登録日 | 2010-02-02 | | 公開日 | 2010-03-02 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
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7YTL
 | | Structure of a oxidoreductase in complex with quinone | | 分子名称: | Apoptosis inducing factor mitochondria associated 2, FLAVIN-ADENINE DINUCLEOTIDE, UBIQUINONE-1 | | 著者 | Lv, Y, Sun, Q, Wang, Q, Zhu, D. | | 登録日 | 2022-08-15 | | 公開日 | 2023-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Structural insights into FSP1 catalysis and ferroptosis inhibition.
Nat Commun, 14, 2023
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8JHU
 | | Legionella effector protein SidI | | 分子名称: | Legionella pneumophila effector protein SidI | | 著者 | Wang, L, Subramanian, A, Mukherjee, S, Walter, P. | | 登録日 | 2023-05-25 | | 公開日 | 2023-08-30 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | A Legionella toxin exhibits tRNA mimicry and glycosyl transferase activity to target the translation machinery and trigger a ribotoxic stress response.
Nat.Cell Biol., 25, 2023
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