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5ABU
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BU of 5abu by Molmil
Complex of D. melanogaster eIF4E with the 4E-binding protein Mextli and cap analog
分子名称: 4E-BINDING PROTEIN MEXTLI, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, CHLORIDE ION, ...
著者Peter, D, Weichenrieder, O.
登録日2015-08-09
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Mextli Proteins Use Both Canonical Bipartite and Novel Tripartite Binding Modes to Form Eif4E Complexes that Display Differential Sensitivity to 4E-BP Regulation
Genes Dev., 29, 2015
6HLA
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BU of 6hla by Molmil
wild-type NuoEF from Aquifex aeolicus - reduced form bound to NADH
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-11
公開日2019-06-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
1HTO
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BU of 1hto by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF A RELAXED GLUTAMINE SYNTHETASE FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: ADENOSINE MONOPHOSPHATE, CITRIC ACID, GLUTAMINE SYNTHETASE, ...
著者Gill, H.S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2001-01-01
公開日2002-07-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Multicopy crystallographic refinement of a relaxed glutamine synthetase from Mycobacterium tuberculosis highlights flexible loops in the enzymatic mechanism and its regulation.
Biochemistry, 41, 2002
5LPK
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BU of 5lpk by Molmil
Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1
分子名称: 1,2-ETHANEDIOL, Histone acetyltransferase p300, SULFATE ION, ...
著者Huegle, M, Wohlwend, D.
登録日2016-08-13
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LVX
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BU of 5lvx by Molmil
Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator
分子名称: 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D.
登録日2016-09-14
公開日2017-10-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
1ASF
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BU of 1asf by Molmil
THE STRUCTURAL BASIS FOR THE REDUCED ACTIVITY OF THE Y226F(Y225F) ACTIVE SITE MUTANT OF E. COLI ASPARTATE AMINOTRANSFERASE
分子名称: ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Schumacher, C, Ringe, D.
登録日1993-08-27
公開日1994-04-30
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Structural Basis for the Reduced Activity of the Y226F(Y225F) Active Site Mutant of E. Coli Aspartate Aminotransferase
To be Published
1OET
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BU of 1oet by Molmil
Oxidation state of protein tyrosine phosphatase 1B
分子名称: -TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1, MAGNESIUM ION
著者van Montfort, R.L.M, Congreve, M, Tisi, D, Carr, R, Jhoti, H.
登録日2003-03-31
公開日2003-06-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B.
Nature, 423, 2003
1PE5
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BU of 1pe5 by Molmil
Thermolysin with tricyclic inhibitor
分子名称: (6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE, 3-METHYLBUTAN-1-AMINE, CALCIUM ION, ...
著者Juers, D, Holland, D, Morgan, B.P, Bartlett, P.A, Matthews, B.W.
登録日2003-05-21
公開日2004-06-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational Constraint and Structural Complementarity in Thermolysin Inhibitors: Structures of Enzyme Complexes and Conclusions
To be Published
4ZVZ
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BU of 4zvz by Molmil
Co-crystal structures of PP5 in complex with 5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
分子名称: (1R,2S,3R,4S,5S)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
著者Chattopadhyay, D, Swingle, M.R, Salter, E.A, Wierzbicki, A, Honkanen, R.E.
登録日2015-05-18
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures and mutagenesis of PPP-family ser/thr protein phosphatases elucidate the selectivity of cantharidin and novel norcantharidin-based inhibitors of PP5C.
Biochem. Pharmacol., 109, 2016
1NX0
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BU of 1nx0 by Molmil
Structure of Calpain Domain 6 in Complex with Calpastatin DIC
分子名称: CALCIUM ION, Calcium-dependent protease, small subunit, ...
著者Todd, B, Moore, D, Deivanayagam, C.C.S, Lin, G.-D, Chattopadhyay, D, Maki, M, Wang, K.K.W, Narayana, S.V.L.
登録日2003-02-07
公開日2003-08-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A structural model for the inhibition of calpain by calpastatin: crystal structures of the native domain VI of calpain and its complexes with calpastatin peptide and a small molecule inhibitor.
J.Mol.Biol., 328, 2003
1ASB
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BU of 1asb by Molmil
THE STRUCTURAL BASIS FOR THE REDUCED ACTIVITY OF THE D223A(D222A) ACTIVE SITE MUTANT OF E. COLI ASPARTATE AMINOTRANSFERASE
分子名称: ASPARTATE AMINOTRANSFERASE, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Schumacher, C, Ringe, D.
登録日1993-08-27
公開日1994-04-30
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Structural Basis for the Reduced Activity of the D223A(D222A) Active Site Mutant of E. Coli Aspartate Aminotransferase
To be Published
1BDX
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BU of 1bdx by Molmil
E. COLI DNA HELICASE RUVA WITH BOUND DNA HOLLIDAY JUNCTION, ALPHA CARBONS AND PHOSPHATE ATOMS ONLY
分子名称: DNA (5'-D(P*GP*CP*AP*TP*GP*CP*AP*TP*AP*TP*GP*CP*AP*TP*GP*C)-3'), HOLLIDAY JUNCTION DNA HELICASE RUVA
著者Hargreaves, D, Rice, D.W, Sedelnikova, S.E, Artymiuk, P.J, Lloyd, R.G, Rafferty, J.B.
登録日1998-05-11
公開日1999-11-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Crystal structure of E.coli RuvA with bound DNA Holliday junction at 6 A resolution.
Nat.Struct.Biol., 5, 1998
7UHC
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BU of 7uhc by Molmil
SARS-CoV-2 spike in complex with AHB2-2GS-SB175
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, Multivalent miniprotein inhibitor AHB2-2GS-SB175, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-03-26
公開日2022-06-08
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
1OES
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BU of 1oes by Molmil
Oxidation state of protein tyrosine phosphatase 1B
分子名称: MAGNESIUM ION, PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1
著者van Montfort, R.L.M, Congreve, M, Tisi, D, Carr, R, Jhoti, H.
登録日2003-03-31
公開日2003-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B.
Nature, 423, 2003
9I0T
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BU of 9i0t by Molmil
Crystal structure of TRIM25 PRYSPRY covalently bound to 2-chloro-1-[4-(3-methyl-4-phenyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanone
分子名称: 1-[4-(3-methyl-4-phenyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanone, E3 ubiquitin/ISG15 ligase TRIM25
著者McPhie, K.A, Esposito, D, Rittinger, K.
登録日2025-01-15
公開日2025-05-21
最終更新日2025-06-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and optimisation of a covalent ligand for TRIM25 and its application to targeted protein ubiquitination.
Chem Sci, 16, 2025
5M7M
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BU of 5m7m by Molmil
Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
分子名称: CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, IODIDE ION, ...
著者Wolhkoning, A, Fleury, D, Leonard, P, Triballeau, N, Mollat, P, Vercheval, L.
登録日2016-10-28
公開日2017-08-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors.
J. Med. Chem., 60, 2017
5FII
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BU of 5fii by Molmil
Structure of a human aspartate kinase, chorismate mutase and TyrA domain.
分子名称: PHENYLALANINE, PHENYLALANINE-4-HYDROXYLASE
著者Patel, D, Kopec, J, Shrestha, L, Fitzpatrick, F, Pinkas, D, Chaikuad, A, Dixon-Clarke, S, McCorvie, T.J, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2015-09-25
公開日2016-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Ligand-Dependent Dimerization of Phenylalanine Hydroxylase Regulatory Domain.
Sci.Rep., 6, 2016
1ASG
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BU of 1asg by Molmil
THE STRUCTURAL BASIS FOR THE REDUCED ACTIVITY OF THE Y226F(Y225F) ACTIVE SITE MUTANT OF E. COLI ASPARTATE AMINOTRANSFERASE
分子名称: ASPARTATE AMINOTRANSFERASE, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Schumacher, C, Ringe, D.
登録日1993-08-27
公開日1994-04-30
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Structural Basis for the Reduced Activity of the Y226F(Y225F) Active Site Mutant of E. Coli Aspartate Aminotransferase
To be Published
6O2Q
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BU of 6o2q by Molmil
Acetylated Microtubules
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E.
登録日2019-02-24
公開日2019-05-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Effects of alpha-tubulin acetylation on microtubule structure and stability.
Proc.Natl.Acad.Sci.USA, 116, 2019
1FEP
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BU of 1fep by Molmil
FERRIC ENTEROBACTIN RECEPTOR
分子名称: FERRIC ENTEROBACTIN RECEPTOR
著者Buchanan, S.K, Smith, B.S, Ventatramani, L, Xia, D, Esser, L, Palnitkar, M, Chakraborty, R, Van Der Helm, D, Deisenhofer, J.
登録日1998-11-24
公開日1999-01-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the outer membrane active transporter FepA from Escherichia coli.
Nat.Struct.Biol., 6, 1999
6I3N
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BU of 6i3n by Molmil
Helical MyD88 death domain filament
分子名称: Myeloid differentiation primary response protein MyD88
著者Moncrieffe, M.C, Bollschweiler, D, Penczek, P.A.P, Gay, N.J.
登録日2018-11-06
公開日2019-11-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献MyD88 Death-Domain Oligomerization Determines Myddosome Architecture: Implications for Toll-like Receptor Signaling.
Structure, 28, 2020
7WPO
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BU of 7wpo by Molmil
Structure of NeoCOV RBD binding to Bat37 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cao, L, Wang, X, Tortorici, M.A, Veesler, D.
登録日2022-01-24
公開日2022-11-30
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
6IB1
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BU of 6ib1 by Molmil
Icosahedrally averaged capsid of empty particle of bacteriophage P68
分子名称: Major head protein, Uncharacterized protein
著者Hrebik, D, Skubnik, K, Fuzik, T, Plevka, P.
登録日2018-11-28
公開日2019-11-06
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and genome ejection mechanism ofStaphylococcus aureusphage P68.
Sci Adv, 5, 2019
7WPZ
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BU of 7wpz by Molmil
Structure of PDF-2180-COV RBD binding to Bat37 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, ...
著者Cao, L, Wang, X, Tortorici, M.A, Veesler, D.
登録日2022-01-24
公開日2022-11-30
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
1NX3
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BU of 1nx3 by Molmil
Calpain Domain VI in Complex with the Inhibitor PD150606
分子名称: 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID, CALCIUM ION, Calcium-dependent protease, ...
著者Todd, B, Moore, D, Deivanayagam, C.C.S, Lin, G.-D, Chattopadhyay, D, Maki, M, Wang, K.K.W, Narayana, S.V.L.
登録日2003-02-07
公開日2003-08-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A structural model for the inhibition of calpain by calpastatin: crystal structures of the native domain VI of calpain and its complexes with calpastatin peptide and a small molecule inhibitor.
J.Mol.Biol., 328, 2003

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