7WN5
 
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142 | | 分子名称: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ... | | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | 登録日 | 2022-01-17 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
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3EWO
 | | IBV Nsp3 ADRP domain | | 分子名称: | Non-structural protein 3 | | 著者 | Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z. | | 登録日 | 2008-10-16 | | 公開日 | 2009-01-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structures of two coronavirus ADP-ribose-1''-monophosphatases and their complexes with ADP-Ribose: a systematic structural analysis of the viral ADRP domain.
J.Virol., 83, 2009
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2YF3
 | | Crystal structure of DR2231, the MazG-like protein from Deinococcus radiodurans, complex with manganese | | 分子名称: | GLYCEROL, MANGANESE (II) ION, MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE, ... | | 著者 | Goncalves, A.M.D, deSanctis, D, McSweeney, S.M. | | 登録日 | 2011-04-01 | | 公開日 | 2011-07-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
J.Biol.Chem., 286, 2011
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4U26
 | | Crystal structure of the E. coli ribosome bound to dalfopristin and quinupristin. | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | | 登録日 | 2014-07-16 | | 公開日 | 2014-07-30 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
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3ULI
 | | Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative | | 分子名称: | 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2 | | 著者 | Larsen, N.A, Tucker, J.A, Wang, T. | | 登録日 | 2011-11-10 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases.
Bioorg.Med.Chem.Lett., 22, 2012
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2WOK
 | | Clavulanic acid biosynthesis oligopeptide binding protein 2 complexed with bradykinin | | 分子名称: | CLAVULANIC ACID BIOSYNTHESIS OLIGOPEPTIDE BINDING PROTEIN 2, GLYCEROL, Kininogen-1 | | 著者 | Mackenzie, A.K, Valegard, K, Iqbal, A, Caines, M.E.C, Kershaw, N.J, Jensen, S.E, Schofield, C.J, Andersson, I. | | 登録日 | 2009-07-26 | | 公開日 | 2009-12-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structures of an oligopeptide-binding protein from the biosynthetic pathway of the beta-lactamase inhibitor clavulanic acid.
J. Mol. Biol., 396, 2010
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2X1E
 | | The crystal structure of mature acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum in complex 6- aminopenicillanic acid | | 分子名称: | (2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ACYL-COENZYME, CHLORIDE ION, ... | | 著者 | Bokhove, M, Yoshida, H, Hensgens, C.M.H, van der Laan, J.M, Sutherland, J.D, Dijkstra, B.W. | | 登録日 | 2009-12-23 | | 公開日 | 2010-03-09 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of an Isopenicillin N Converting Ntn-Hydrolase Reveal Different Catalytic Roles for the Active Site Residues of Precursor and Mature Enzyme.
Structure, 18, 2010
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3GPT
 | | Crystal structure of the yeast 20S proteasome in complex with Salinosporamide derivatives: slow substrate ligand | | 分子名称: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde, Proteasome component C1, Proteasome component C11, ... | | 著者 | Groll, M, Macherla, V.R, Manam, R.R, Arthur, K.A.M, Potts, C.B. | | 登録日 | 2009-03-23 | | 公開日 | 2009-09-15 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
J.Med.Chem., 52, 2009
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6TOZ
 | | Crystal structure of Bacillus paralicheniformis alpha-amylase in complex with acarbose | | 分子名称: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ACETIC ACID, Amylase, ... | | 著者 | Rozeboom, H.J, Janssen, D.B. | | 登録日 | 2019-12-12 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Characterization of the starch surface binding site on Bacillus paralicheniformis alpha-amylase.
Int.J.Biol.Macromol., 165, 2020
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6C57
 | | Crystal structure of mutant human geranylgeranyl pyrophosphate synthase (Y246D) in complex with bisphosphonate inhibitor FV0109 | | 分子名称: | Geranylgeranyl pyrophosphate synthase, {[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid) | | 著者 | Park, J, Bin, X, Vincent, F, Tsantrizos, Y.S, Berghuis, A.M. | | 登録日 | 2018-01-15 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Unraveling the Prenylation-Cancer Paradox in Multiple Myeloma with Novel Geranylgeranyl Pyrophosphate Synthase (GGPPS) Inhibitors.
J. Med. Chem., 61, 2018
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6DIU
 | | Crystal structure of HCV NS3/4A protease in complex with P4-3(AJ-74) | | 分子名称: | 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, GLYCEROL, NS3 protease, ... | | 著者 | Matthew, A.N, Schiffer, C.A. | | 登録日 | 2018-05-23 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.868 Å) | | 主引用文献 | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
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4CBW
 | | Crystal structure of Plasmodium berghei actin I with D-loop from muscle actin | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, ACTIN, ALPHA SKELETAL MUSCLE, ... | | 著者 | Vahokoski, J, Bhargav, S.P, Desfosses, A, Andreadaki, M, Kumpula, E.P, Ignatev, A, Munico Martinez, S, Lepper, S, Frischknecht, F, Siden-Kiamos, I, Sachse, C, Kursula, I. | | 登録日 | 2013-10-17 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Structural Differences Explain Diverse Functions of Plasmodium Actins.
Plos Pathog., 10, 2014
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5AKL
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE, SULFATE ION | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-03 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5T4U
 | | Crystal structure of the bromodomain of human BRPF1 in complex with a quinolinone ligand | | 分子名称: | 1-METHYLQUINOLIN-2(1H)-ONE, NITRATE ION, Peregrin | | 著者 | Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-08-30 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies.
J. Med. Chem., 60, 2017
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6D5H
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2018-09-19 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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3GWT
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6Q76
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7SIL
 | | Structure of positive allosteric modulator-bound active human calcium-sensing receptor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine, ... | | 著者 | Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R. | | 登録日 | 2021-10-14 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Symmetric activation and modulation of the human calcium-sensing receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
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2WW2
 | | Structure of the Family GH92 Inverting Mannosidase BT2199 from Bacteroides thetaiotaomicron VPI-5482 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, ALPHA-1,2-MANNOSIDASE, ... | | 著者 | Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J. | | 登録日 | 2009-10-21 | | 公開日 | 2009-12-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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3AXZ
 | | Crystal structure of Haemophilus influenzae TrmD in complex with adenosine | | 分子名称: | ADENOSINE, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Yoshida, K, Goto-Ito, S, Ito, T, Hou, Y.M, Yokoyama, S. | | 登録日 | 2011-04-21 | | 公開日 | 2011-08-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Differentiating analogous tRNA methyltransferases by fragments of the methyl donor.
Rna, 17, 2011
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1WBA
 | | WINGED BEAN ALBUMIN 1 | | 分子名称: | WINGED BEAN ALBUMIN 1 | | 著者 | Mccoy, A.J. | | 登録日 | 1996-06-19 | | 公開日 | 1997-01-11 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystallization and preliminary crystallographic data of the major albumin from Psophocarpus tetragonolobus (L.) DC.
J.Biol.Chem., 262, 1987
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4BWF
 | | Pex4p-Pex22p disulphide bond mutant | | 分子名称: | 1,2-ETHANEDIOL, PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA | | 著者 | Williams, C, van den Berg, M, Stanley, W.A, Wilmanns, M, Distel, B. | | 登録日 | 2013-07-01 | | 公開日 | 2013-07-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | | 主引用文献 | A Disulphide Bond in the E2 Enzyme Pex4P Modulates Ubiquitin-Conjugating Activity
Sci.Rep., 3, 2013
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5II4
 | | Crystal structure of red abalone VERL repeat 1 with linker at 2.0 A resolution | | 分子名称: | Maltose-binding periplasmic protein,Vitelline envelope sperm lysin receptor, TRIETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Sadat Al-Hosseini, H, Raj, I, Nishimura, K, Jovine, L. | | 登録日 | 2016-03-01 | | 公開日 | 2017-06-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
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9F61
 | | Structure of the Chlamydomonas reinhardtii respiratory complex IV from respiratory supercomplex | | 分子名称: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ... | | 著者 | Waltz, F, Righetto, R, Kotecha, A, Engel, B.D. | | 登録日 | 2024-04-30 | | 公開日 | 2025-03-12 | | 最終更新日 | 2025-04-02 | | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | | 主引用文献 | In-cell architecture of the mitochondrial respiratory chain.
Science, 387, 2025
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9NZN
 | | Crystal Structure of Kirsten Rat Sarcoma G12C Complexed with GDP and Covalently Bound to an Adduct of (2S)-1-{4-[(7P)-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-fluoro-3-(1,3-thiazol-2-yl)propan-1-one | | 分子名称: | (2S)-1-{4-[(7P)-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-fluoro-3-(1,3-thiazol-2-yl)propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | 著者 | Sheriff, S, Pokross, M, Witmer, M. | | 登録日 | 2025-04-01 | | 公開日 | 2025-11-05 | | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | | 主引用文献 | Novel covalent warhead imparts potent activity against both GDP- and GTP-bound forms of KRAS G12C
To be published
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