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6TTQ
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PKM2 in complex with Compound 10
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 1-propan-2-yl-3-pyridin-4-yl-urea, Pyruvate kinase PKM
著者Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
登録日2019-12-30
公開日2020-01-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
3USZ
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BU of 3usz by Molmil
Crystal structure of truncated exo-1,3/1,4-beta-glucanase (EXOP) from Pseudoalteromonas sp. BB1
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Exo-1,3/1,4-beta-glucanase, ...
著者Nakatani, Y, Cutfield, S.M, Cutfield, J.F.
登録日2011-11-24
公開日2011-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and activity of exo-1,3/1,4-beta-glucanase from marine bacterium Pseudoalteromonas sp. BB1 showing a novel C-terminal domain
Febs J., 2011
6WY4
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BU of 6wy4 by Molmil
Crystal Structure of Wild Type Class D beta-lactamase from Clostridium difficile 630
分子名称: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION
著者Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-05-12
公開日2020-05-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Wild Type Class D beta-lactamase from Clostridium difficile 630
To Be Published
6WYW
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BU of 6wyw by Molmil
Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase in complex with L-Asp at pH 4.5
分子名称: ASPARTIC ACID, Glutaminase-asparaginase
著者Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J.
登録日2020-05-13
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Sci Rep, 10, 2020
3GDS
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BU of 3gds by Molmil
Crystal structure of DegS H198P/D320A mutant modified by DFP in complex with DNRDGNVYYF peptide
分子名称: DNRDGNVYYF peptide, Protease degS
著者Sohn, J, Grant, R.A, Sauer, R.T.
登録日2009-02-24
公開日2009-03-31
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献OMP peptides activate the DegS stress-sensor protease by a relief of inhibition mechanism.
Structure, 17, 2009
6WWZ
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BU of 6wwz by Molmil
Cryo-EM structure of the human chemokine receptor CCR6 in complex with CCL20 and a Go protein
分子名称: C-C chemokine receptor type 6,C-C chemokine receptor type 6, C-C motif chemokine 20, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wasilko, D.J, Johnson, Z.L, Ammirati, M, Han, S, Wu, H.
登録日2020-05-09
公開日2020-06-24
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural basis for chemokine receptor CCR6 activation by the endogenous protein ligand CCL20.
Nat Commun, 11, 2020
4JSC
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BU of 4jsc by Molmil
The 2.5A crystal structure of humanized Xenopus MDM2 with RO5316533 - a pyrrolidine MDM2 inhibitor
分子名称: (3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide, E3 ubiquitin-protein ligase Mdm2
著者Janson, C.A, Lukacs, C, Graves, B.
登録日2013-03-22
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of RG7388, a Potent and Selective p53-MDM2 Inhibitor in Clinical Development.
J.Med.Chem., 56, 2013
6WF6
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BU of 6wf6 by Molmil
Streptomyces coelicolor methylmalonyl-CoA epimerase
分子名称: COBALT (II) ION, DI(HYDROXYETHYL)ETHER, Methylmalonyl-CoA epimerase
著者Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R.
登録日2020-04-03
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase.
Chembiochem, 23, 2022
6WFH
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BU of 6wfh by Molmil
Streptomyces coelicolor methylmalonyl-CoA epimerase substrate complex
分子名称: (3S,5R,9R,19E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name), CHLORIDE ION, COBALT (II) ION, ...
著者Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R.
登録日2020-04-03
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase.
Chembiochem, 23, 2022
3DVC
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BU of 3dvc by Molmil
X-ray crystal structure of mutant N62T of human Carbonic Anhydrase II
分子名称: Carbonic anhydrase 2, ZINC ION
著者Avvaru, B.S.
登録日2008-07-18
公開日2008-11-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II.
Biochemistry, 47, 2008
6WK8
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BU of 6wk8 by Molmil
Crystal structure of Gdx-Clo from Small Multidrug Resistance family of transporters in complex with phenylguanidinium
分子名称: 1-phenylguanidine, DECYL-BETA-D-MALTOPYRANOSIDE, Dodecyldimethylphosphine oxide, ...
著者Kermani, A.A, Stockbridge, R.B.
登録日2020-04-15
公開日2020-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献The structural basis of promiscuity in small multidrug resistance transporters.
Nat Commun, 11, 2020
6TBT
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BU of 6tbt by Molmil
Crystal structure of the BCL6 BTB domain in complex with an Apt48 peptide
分子名称: Apt48 peptide, B-cell lymphoma 6 protein, CHLORIDE ION, ...
著者Zacharchenko, T, Wright, S.C.
登録日2019-11-04
公開日2021-10-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural basis of Apt48 inhibition of the BCL6 BTB domain.
Structure, 2021
3UPK
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BU of 3upk by Molmil
E. cloacae MURA in complex with UNAG
分子名称: 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
著者Zhu, J.-Y, Yang, Y, Schonbrunn, E.
登録日2011-11-18
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
4JFG
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BU of 4jfg by Molmil
Crystal structure of sfGFP-66-HqAla
分子名称: CESIUM ION, Green fluorescent protein, quinolin-8-ol
著者Wang, J, Liu, X, Li, J, Zhang, W, Hu, M, Zhou, J.
登録日2013-02-28
公開日2013-10-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Significant expansion of the fluorescent protein chromophore through the genetic incorporation of a metal-chelating unnatural amino acid.
Angew.Chem.Int.Ed.Engl., 52, 2013
4JSO
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BU of 4jso by Molmil
The X-ray crystal structure of a thermophilic cellobiose binding protein bound with laminaripentaose
分子名称: CALCIUM ION, Oligopeptide ABC transporter, periplasmic oligopeptide-binding protein, ...
著者Munshi, P, Cuneo, M.J.
登録日2013-03-22
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Molecular details of ligand selectivity determinants in a promiscuous beta-glucan periplasmic binding protein.
Bmc Struct.Biol., 13, 2013
6WYX
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BU of 6wyx by Molmil
Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase in complex with L-Asp at pH 5.0
分子名称: ASPARTIC ACID, GLYCEROL, Glutaminase-asparaginase
著者Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J.
登録日2020-05-13
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Sci Rep, 10, 2020
6WZU
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BU of 6wzu by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , P3221 space group
分子名称: CHLORIDE ION, GLYCEROL, Non-structural protein 3, ...
著者Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-05-14
公開日2020-05-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
6X25
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BU of 6x25 by Molmil
CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 1-PHOSPHATASE INPP1 IN COMPLEX GADOLINIUM AFTER ADDITION OF INOSITOL 1,3,4-TRISPHOSPHATE AND LITHIUM AT 3.2 ANGSTROM RESOLUTION
分子名称: GADOLINIUM ATOM, Inositol polyphosphate 1-phosphatase, SULFATE ION
著者Dollins, D.E, Endo-Streeter, S, Ren, Y, York, J.D.
登録日2020-05-20
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A structural basis for lithium and substrate binding of an inositide phosphatase.
J.Biol.Chem., 296, 2020
3HI4
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BU of 3hi4 by Molmil
Switching catalysis from hydrolysis to perhydrolysis in P. fluorescens esterase
分子名称: ACETATE ION, Arylesterase, GLYCEROL, ...
著者Purpero, V.M.
登録日2009-05-18
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Switching catalysis from hydrolysis to perhydrolysis in Pseudomonas fluorescens esterase.
Biochemistry, 49, 2010
6WK5
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BU of 6wk5 by Molmil
Crystal structure of Gdx-Clo from Small Multidrug Resistance family of transporters
分子名称: L10 monobody, Multidrug resistance protein, SMR family
著者Kermani, A.A, Stockbridge, R.B.
登録日2020-04-15
公開日2020-10-28
最終更新日2020-12-09
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The structural basis of promiscuity in small multidrug resistance transporters.
Nat Commun, 11, 2020
6WDY
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BU of 6wdy by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Indole Phenylhydroxamate Inhibitor
分子名称: 1,2-ETHANEDIOL, N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide, PHOSPHATE ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2020-04-01
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
6WK9
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BU of 6wk9 by Molmil
Crystal structure of Gdx-Clo from Small Multidrug Resistance family of transporters in complex with octylguanidinium
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, L10 monobody, Multidrug resistance protein, ...
著者Kermani, A.A, Stockbridge, R.B.
登録日2020-04-15
公開日2020-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献The structural basis of promiscuity in small multidrug resistance transporters.
Nat Commun, 11, 2020
3DJ1
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BU of 3dj1 by Molmil
crystal structure of TIP-1 wild type
分子名称: SULFATE ION, Tax1-binding protein 3
著者Shen, Y.
登録日2008-06-21
公開日2008-10-21
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of beta-Catenin Recognition by Tax-interacting Protein-1.
J.Mol.Biol., 384, 2008
3HHV
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BU of 3hhv by Molmil
The crystal structure of the Thioredoxin A2 from Sulfolobus solfataricus
分子名称: Thioredoxin (TrxA-2)
著者Ruggiero, A, Masullo, M, Ruocco, M.R, Arcari, P, Zagari, A, Vitagliano, L.
登録日2009-05-18
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The dimeric structure of Sulfolobus solfataricus thioredoxin A2 and the basis of its thermostability
Proteins, 77, 2009
2WMW
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BU of 2wmw by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009

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