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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3PNB
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8SPZ
 | | Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl phosphatidylserine | | 分子名称: | Apoptosis regulator BAX, SULFATE ION | | 著者 | Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S. | | 登録日 | 2023-05-04 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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8SPF
 | | Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with 2-stearoyl lysoPC | | 分子名称: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, DODECANE, ... | | 著者 | Cowan, A.D, Miller, M.S, Czabotar, P.E, Colman, P.M. | | 登録日 | 2023-05-03 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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8QSO
 | | Crystal structure of human Mcl-1 in complex with compound 1 | | 分子名称: | (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Hekking, K.F.W, Gremmen, S, Maroto, S, Keefe, A.D, Zhang, Y. | | 登録日 | 2023-10-10 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.106 Å) | | 主引用文献 | Development of Potent Mcl-1 Inhibitors: Structural Investigations on Macrocycles Originating from a DNA-Encoded Chemical Library Screen.
J.Med.Chem., 67, 2024
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8SPE
 | | Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 | | 分子名称: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Miller, M.S, Cowan, A.D, Colman, P.M, Czabotar, P.E. | | 登録日 | 2023-05-03 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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3OWH
 | | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ... | | 著者 | Pegan, S.D, Sturdy, M, Mesecar, A.D. | | 登録日 | 2010-09-18 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
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6DLV
 | | Cryo-EM of the GTP-bound human dynamin-1 polymer assembled on the membrane in the super constricted state | | 分子名称: | Dynamin-1 | | 著者 | Kong, L, Wang, H, Fang, S, Canagarajah, B, Kehr, A.D, Rice, W.J, Hinshaw, J.E. | | 登録日 | 2018-06-02 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (10.1 Å) | | 主引用文献 | Cryo-EM of the dynamin polymer assembled on lipid membrane.
Nature, 560, 2018
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3OX3
 | | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-methoxy-1H-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | 著者 | Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D. | | 登録日 | 2010-09-21 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
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8RQN
 | | Human thyroid hormone receptor beta ligand binding domain in complex with beta-selective agonist ALG-055009 | | 分子名称: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Thyroid hormone receptor beta | | 著者 | Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C. | | 登録日 | 2024-01-18 | | 公開日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 2024
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8RQO
 | | Human thyroid hormone receptor alpha ligand binding domain in complex with beta-selective agonist ALG-055009 | | 分子名称: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Isoform Alpha-1 of Thyroid hormone receptor alpha, SULFATE ION | | 著者 | Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C. | | 登録日 | 2024-01-18 | | 公開日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 2024
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6FV3
 | | Crystal structure of N-acetyl-D-glucosamine-6-phosphate deacetylase from Mycobacterium smegmatis. | | 分子名称: | N-acetylglucosamine-6-phosphate deacetylase, ZINC ION | | 著者 | Ahangar, M.S, Furze, C.M, Guy, C.S, Cooper, C, Maskew, K.S, Graham, B, Cameron, A.D, Fullam, E. | | 登録日 | 2018-02-28 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Structural and functional determination of homologs of theMycobacterium tuberculosis N-acetylglucosamine-6-phosphate deacetylase (NagA).
J. Biol. Chem., 293, 2018
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3QUL
 | | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4S) | | 分子名称: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | 著者 | Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A. | | 登録日 | 2011-02-24 | | 公開日 | 2012-03-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics.
Eur.J.Immunol., 42, 2012
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3QUK
 | | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4A) | | 分子名称: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | 著者 | Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A. | | 登録日 | 2011-02-24 | | 公開日 | 2012-03-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics.
Eur.J.Immunol., 42, 2012
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3RLE
 | | Crystal Structure of GRASP55 GRASP domain (residues 7-208) | | 分子名称: | Golgi reassembly-stacking protein 2 | | 著者 | Truschel, S.T, Sengupta, D, Foote, A, Heroux, A, Macbeth, M.R, Linstedt, A.D. | | 登録日 | 2011-04-19 | | 公開日 | 2011-05-04 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.649 Å) | | 主引用文献 | Structure of the Membrane-tethering GRASP Domain Reveals a Unique PDZ Ligand Interaction That Mediates Golgi Biogenesis.
J.Biol.Chem., 286, 2011
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6FV4
 | | The structure of N-acetyl-D-glucosamine-6-phosphate deacetylase D267A mutant from Mycobacterium smegmatis in complex with N-acetyl-D-glucosamine-6-phosphate | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, CADMIUM ION, ... | | 著者 | Ahangar, M.S, Furze, C.M, Guy, C.S, Cooper, C, Maskew, K.S, Graham, B, Cameron, A.D, Fullam, E. | | 登録日 | 2018-03-01 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.974 Å) | | 主引用文献 | Structural and functional determination of homologs of theMycobacterium tuberculosis N-acetylglucosamine-6-phosphate deacetylase (NagA).
J. Biol. Chem., 293, 2018
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3ROL
 | | Murine class I major histocompatibility complex H-2Kb in complex with post-translationally modified LCMV-derived gp34-41 peptide, comprising a nitrotyrosine at position 3 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Madhurantakam, C, Duru, A.D, Leong, C, Sandalova, T, Webb, J.R, Achour, A. | | 登録日 | 2011-04-26 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Nitro-tyrosination of the immunodominant LCMV epitope gp34-41 alters both its capacity to stabilize H-2Kb and the molecular surface of the MHC complex, affecting TCR recognition
PLoS ONE, 2012
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1A87
 | | COLICIN N | | 分子名称: | COLICIN N | | 著者 | Vetter, I.R, Parker, M.W, Tucker, A.D, Lakey, J.H, Pattus, F, Tsernoglou, D. | | 登録日 | 1998-04-03 | | 公開日 | 1999-04-06 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Crystal structure of a colicin N fragment suggests a model for toxicity.
Structure, 6, 1998
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6E99
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6E6N
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1AXM
 | | HEPARIN-LINKED BIOLOGICALLY-ACTIVE DIMER OF FIBROBLAST GROWTH FACTOR | | 分子名称: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACIDIC FIBROBLAST GROWTH FACTOR | | 著者 | DiGabriele, A.D, Lax, I, Chen, D.I, Svahn, C.M, Jaye, M, Schlessinger, J, Hendrickson, W.A. | | 登録日 | 1997-10-16 | | 公開日 | 1998-04-22 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of a heparin-linked biologically active dimer of fibroblast growth factor.
Nature, 393, 1998
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6GFU
 | | Crystal structure of an ancient sequence-reconstructed Elongation Factor Tu (node 262) | | 分子名称: | Elongation Factor Tu, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Majumdar, S, Tarafder, A.D, Ge, X, Kacar, B, Sanyal, S. | | 登録日 | 2018-05-02 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of an ancient sequence-reconstructed Elongation Factor Tu (node 262)
To Be Published
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3OX2
 | | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | | 分子名称: | 2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | 著者 | Pegan, S.D, Sturdy, M, Mesecar, A.D. | | 登録日 | 2010-09-21 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
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3ROO
 | | Murine class I major histocompatibility complex H-2Kb in complex with immunodominant LCMV-derived gp34-41 peptide | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Madhurantakam, C, Duru, A.D, Leong, C, Sandalova, T, Webb, J.R, Achour, A. | | 登録日 | 2011-04-26 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Nitro-tyrosination of the immunodominant LCMV epitope gp34-41 alters both its capacity to stabilize H-2Kb and the molecular surface of the MHC complex, affecting TCR recognition
PLoS ONE, 2012
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2CJF
 | | TYPE II DEHYDROQUINASE INHIBITOR COMPLEX | | 分子名称: | (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ... | | 著者 | Payne, R.J, Riboldi-Tunnicliffe, A, Abell, A.D, Lapthorn, A.J, Abell, C. | | 登録日 | 2006-03-31 | | 公開日 | 2007-04-10 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Design, synthesis, and structural studies on potent biaryl inhibitors of type II dehydroquinases.
Chemmedchem, 2, 2007
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