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2V95
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BU of 2v95 by Molmil
Structure of Corticosteroid-Binding Globulin in complex with Cortisol
分子名称: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, CORTICOSTEROID-BINDING GLOBULIN
著者Klieber, M.A, Muller, Y.A.
登録日2007-08-21
公開日2007-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Corticosteroid-Binding Globulin: Structural Basis for Steroid Transport and Proteinase-Triggered Release
J.Biol.Chem., 282, 2007
7JPZ
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BU of 7jpz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1
分子名称: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
5ELV
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BU of 5elv by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L504-N775) in complex with glutamate and BPAM-521 at 1.92 A resolution
分子名称: 4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ...
著者Krintel, C, Juknaite, L, Frydenvang, K, Kastrup, J.S.
登録日2015-11-05
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Enthalpy-Entropy Compensation in the Binding of Modulators at Ionotropic Glutamate Receptor GluA2.
Biophys.J., 110, 2016
8VJ7
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BU of 8vj7 by Molmil
GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 2
分子名称: 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, GLUTAMIC ACID, Isoform Flip of Glutamate receptor 2
著者Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C.
登録日2024-01-05
公開日2024-06-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.85 Å)
主引用文献Allosteric competition and inhibition in AMPA receptors.
Nat.Struct.Mol.Biol., 2024
4FYX
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BU of 4fyx by Molmil
E. coli Aspartate Transcarbamoylase complexed with dCTP, UTP, and Mg2+
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ...
著者Cockrell, G.M, Kantrowitz, E.R.
登録日2012-07-05
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.0889 Å)
主引用文献Metal Ion Involvement in the Allosteric Mechanism of Escherichia coli Aspartate Transcarbamoylase.
Biochemistry, 51, 2012
2VBI
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BU of 2vbi by Molmil
Holostructure of pyruvate decarboxylase from Acetobacter pasteurianus
分子名称: MAGNESIUM ION, PYRUVATE DECARBOXYLASE, THIAMINE DIPHOSPHATE
著者Gocke, D, Berthold, C.L, Schneider, G, Pohl, M.
登録日2007-09-14
公開日2008-04-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献

7JQ5
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BU of 7jq5 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8
分子名称: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
5EM2
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BU of 5em2 by Molmil
Crystal structure of the Erb1-Ytm1 complex
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Ribosome biogenesis protein ERB1, ...
著者Ahmed, Y.L, Sinning, I.
登録日2015-11-05
公開日2015-12-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Concerted removal of the Erb1-Ytm1 complex in ribosome biogenesis relies on an elaborate interface.
Nucleic Acids Res., 44, 2016
5ALL
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BU of 5all by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: DIMETHYL SULFOXIDE, SOLUBLE EPOXIDE HYDROLASE, SULFATE ION, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
2V3A
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BU of 2v3a by Molmil
Crystal structure of rubredoxin reductase from Pseudomonas aeruginosa.
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Hagelueken, G, Wiehlmann, L, Adams, T.M, Kolmar, H, Heinz, D.W, Tuemmler, B, Schubert, W.-D.
登録日2007-06-14
公開日2007-08-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Electron Transfer Complex Rubredoxin - Rubredoxin Reductase from Pseudomonas Aeruginosa.
Proc.Natl.Acad.Sci.USA, 104, 2007
7R5L
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BU of 7r5l by Molmil
Crystal structure of YTHDF2 with compound YLI_DC1_015
分子名称: 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one, SULFATE ION, YTH domain-containing family protein 2
著者Nachawati, R, Nai, F, Li, Y, Caflisch, A.
登録日2022-02-10
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
4MGT
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BU of 4mgt by Molmil
ALKBH2 R110A cross-linked to undamaged dsDNA
分子名称: Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, DNA1, DNA2, ...
著者Chen, B, Gan, J, Yang, C.G.
登録日2013-08-28
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The complex structures of ALKBH2 mutants cross-linked to dsDNA reveal the conformational swing of β-hairpin
Sci China Chem, 57, 2014
2V4Q
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BU of 2v4q by Molmil
Post-insertion complex of the Y-family DNA polymerase Dpo4 with M1dG containing template DNA
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*C)-3', 5'-D(*TP*CP*AP*C M1GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
著者Eoff, R.L, Stafford, J.B, Szekely, J, Rizzo, C.J, Egli, M, Guengerich, F.P, Marnett, L.J.
登録日2008-09-26
公開日2009-06-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Functional Analysis of Sulfolobus Solfataricus Y-Family DNA Polymerase Dpo4-Catalyzed Bypass of the Malondialdehyde-Deoxyguanosine Adduct.
Biochemistry, 48, 2009
4LPF
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BU of 4lpf by Molmil
Crystal structure of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
分子名称: 3-AMINO-1,2,4-TRIAZOLE, Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION
著者Ahangar, M.S, Vyas, R, Nasir, N, Biswal, B.K.
登録日2013-07-16
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of the native, substrate- bound and inhibited forms of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase
Acta Crystallogr.,Sect.D, 2013
7R1A
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BU of 7r1a by Molmil
Furin Cleaved Alpha Variant SARS-CoV-2 Spike in complex with 3 ACE2
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, Angiotensin-converting enzyme 2, ...
著者Benton, D.J, Wrobel, A.G, Gamblin, S.J.
登録日2022-02-02
公開日2022-03-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Evolution of the SARS-CoV-2 spike protein in the human host.
Nat Commun, 13, 2022
2V67
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BU of 2v67 by Molmil
Crystal structure of Chlamydomonas reinhardtii Rubisco with a large- subunit supressor mutation T342I
分子名称: 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ...
著者Karkehabadi, S, Satagopan, S, Taylor, T.C, Spreitzer, R.J, Andersson, I.
登録日2007-07-13
公開日2007-08-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of Altered Large-Subunit Loop-6-Carboxy-Terminus Interactions that Influence Catalytic Efficiency and Co2 O2 Specificity of Ribulose-1,5-Bisphosphate Carboxylase Oxygenase
Biochemistry, 46, 2007
2BKG
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BU of 2bkg by Molmil
Crystal structure of E3_19 a designed ankyrin repeat protein
分子名称: SYNTHETIC CONSTRUCT ANKYRIN REPEAT PROTEIN E3_19
著者Binz, H.K, Kohl, A, Pluckthun, A, Grutter, M.G.
登録日2005-02-16
公開日2006-06-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of a Consensus-Designed Ankyrin Repeat Protein: Implications for Stability
Proteins: Struct., Funct., Bioinf., 65, 2006
7JU0
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BU of 7ju0 by Molmil
RebH Variant 0S, Tryptamine 7-halogenase with bound tryptamine
分子名称: 2-(1H-INDOL-3-YL)ETHANAMINE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase RebH
著者Andorfer, M.C, Sukumar, N, Lewis, J.C.
登録日2020-08-18
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Structural and Computational Analysis of Laboratory-Evolved Halogenases Reveals Molecular Details of Site-Selectivity
To Be Published
2V2P
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BU of 2v2p by Molmil
Mutant (E53,56,57,60Q and R59M) recombinant horse spleen apoferritin cocrystallized with haemin in acidic conditions
分子名称: CADMIUM ION, FERRITIN LIGHT CHAIN, GLYCEROL, ...
著者De Val, N, Declercq, J.P.
登録日2007-06-06
公開日2008-06-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structural Analysis of Haemin Demetallation by L-Chain Apoferritins
J.Inorg.Biochem., 112, 2012
3C5Y
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BU of 3c5y by Molmil
Crystal structure of a putative ribose 5-phosphate isomerase (saro_3514) from novosphingobium aromaticivorans dsm at 1.81 A resolution
分子名称: 1,2-ETHANEDIOL, NITRATE ION, Ribose/galactose isomerase
著者Joint Center for Structural Genomics (JCSG)
登録日2008-02-01
公開日2008-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure of putative ribose 5-phosphate isomerase (YP_001165900.1) from Novosphingobium aromaticivorans DSM 12444 at 1.81 A resolution
To be published
5EGR
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BU of 5egr by Molmil
tRNA guanine transglycosylase (TGT) in complex with an Immucillin derivative
分子名称: 1,2-ETHANEDIOL, 2-azanyl-7-[(2~{S},3~{R},5~{S})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, GLYCEROL, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2015-10-27
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Synthesis of an Immucillin Derivative as a Class of tRNA-Guanine Transglycosylase Inhibitors: Exploration of a Transition State Analogous Binding Mode
To be Published
3BX7
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BU of 3bx7 by Molmil
Engineered Human Lipocalin 2 (LCN2) in Complex with the Extracellular Domain of Human CTLA-4
分子名称: CYTOTOXIC T-LYMPHOCYTE-ASSOCIATED ANTIGEN 4, ENGINEERED HUMAN LIPOCALIN 2
著者Schonfeld, D.L, Chatwell, L, Skerra, A.
登録日2008-01-11
公開日2009-01-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High affinity molecular recognition and functional blockade of CTLA-4 by an engineered human lipocalin
To be Published
4LRJ
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BU of 4lrj by Molmil
Bacterial Effector NleH1 Kinase Domain with AMPPNP and Mg2+
分子名称: Effector NleH1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2013-07-19
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.619 Å)
主引用文献NleH defines a new family of bacterial effector kinases.
Structure, 22, 2014
3COG
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BU of 3cog by Molmil
Crystal structure of human cystathionase (Cystathionine gamma lyase) in complex with DL-propargylglycine
分子名称: (2S)-2-aminopent-4-enoic acid, Cystathionine gamma-lyase, DI(HYDROXYETHYL)ETHER, ...
著者Collins, R, Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Schuler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Sagermark, J, Busam, R.D, Welin, M, Weigelt, J, Wikstrom, M, Structural Genomics Consortium (SGC)
登録日2008-03-28
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S.
J.Biol.Chem., 284, 2009
7R2V
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BU of 7r2v by Molmil
Structure of nsp14 from SARS-CoV-2 in complex with SAH
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Proofreading exoribonuclease nsp14, ...
著者Czarna, A, Plewka, J, Kresik, L, Matsuda, A, Abdulkarim, K, Robinson, C, OByrne, S, Cunningham, F, Georgiou, I, Pachota, M, Popowicz, G.M, Wyatt, P.G, Dubin, G, Pyrc, K.
登録日2022-02-06
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity.
Structure, 30, 2022

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