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5Y6D
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VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 11)
分子名称: (2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B.
登録日2017-08-11
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies.
Eur J Med Chem, 145, 2018
7AMV
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BU of 7amv by Molmil
Atomic structure of the poxvirus transcription pre-initiation complex in the initially melted state
分子名称: ATP-dependent helicase VETFS, DNA-directed RNA polymerase, DNA-directed RNA polymerase 147 kDa polypeptide, ...
著者Grimm, C, Bartuli, J, Fischer, U.
登録日2020-10-09
公開日2021-10-06
最終更新日2021-10-20
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis of the complete poxvirus transcription initiation process.
Nat.Struct.Mol.Biol., 28, 2021
6T0H
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BU of 6t0h by Molmil
Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3
分子名称: 1-alpha-hydroxy-vitamin D3, CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, ...
著者Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
登録日2019-10-03
公開日2020-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
2XPG
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Crystal structure of a MHC class I-peptide complex
分子名称: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-3 ALPHA CHAIN, ...
著者McMahon, R.M, Friis, L, Siebold, C, Friese, M.A, Fugger, L, Jones, E.Y.
登録日2010-08-26
公開日2011-04-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Hla-A0301 in Complex with a Peptide of Proteolipid Protein: Insights Into the Role of Hla-A Alleles in Susceptibility to Multiple Sclerosis
Acta Crystallogr.,Sect.D, 67, 2011
7B1O
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Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22
分子名称: 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1
著者Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M.
登録日2020-11-25
公開日2021-09-29
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
2MAS
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BU of 2mas by Molmil
PURINE NUCLEOSIDE HYDROLASE WITH A TRANSITION STATE INHIBITOR
分子名称: 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL, CALCIUM ION, INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE
著者Degano, M, Schramm, V.L, Sacchettini, J.C.
登録日1996-10-17
公開日1997-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Trypanosomal nucleoside hydrolase. A novel mechanism from the structure with a transition-state inhibitor.
Biochemistry, 37, 1998
2J45
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Water structure of T. Aquaticus Ffh NG Domain At 1.1A Resolution
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Freymann, D.M, Ramirez, U.D.
登録日2006-08-24
公開日2006-11-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Analysis of Protein Hydration in Ultra-High Resolution Structures of the Srp Gtpase Ffh
Acta Crystallogr.,Sect.D, 62, 2006
2LZH
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BU of 2lzh by Molmil
THE STRUCTURES OF THE MONOCLINIC AND ORTHORHOMBIC FORMS OF HEN EGG-WHITE LYSOZYME AT 6 ANGSTROMS RESOLUTION.
分子名称: HEN EGG WHITE LYSOZYME
著者Artymiuk, P.J, Blake, C.C.F, Rice, D.W, Wilson, K.S.
登録日1981-06-29
公開日1981-09-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献The Structures of the Monoclinic and Orthorhombic Forms of Hen Egg-White Lysozyme at 6 Angstroms Resolution.
Acta Crystallogr.,Sect.B, 38, 1982
2J7I
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ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMINAL SH3 DOMAIN. CMS:CD2 HETERODIMER
分子名称: CD2-ASSOCIATED PROTEIN, T-CELL SURFACE ANTIGEN CD2
著者Moncalian, G, Cardenes, N, Deribe, Y.L, Spinola-Amilibia, M, Dikic, I, Bravo, J.
登録日2006-10-09
公開日2006-11-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Atypical Polyproline Recognition by the Cms N-Terminal Src Homology 3 Domain.
J.Biol.Chem., 281, 2006
2BXC
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Human serum albumin complexed with phenylbutazone
分子名称: 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, SERUM ALBUMIN
著者Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S.
登録日2005-07-26
公開日2005-09-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
2J6K
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BU of 2j6k by Molmil
N-TERMINAL SH3 DOMAIN OF CMS (CD2AP HUMAN HOMOLOG)
分子名称: CD2-ASSOCIATED PROTEIN, SODIUM ION
著者Moncalian, G, Cardenes, N, Deribe, Y.L, Spinola-Amilibia, M, Dikic, I, Bravo, J.
登録日2006-09-29
公開日2006-10-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Atypical Polyproline Recognition by the Cms N- Terminal SH3 Domain.
J.Biol.Chem., 281, 2006
2LZT
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BU of 2lzt by Molmil
REFINEMENT OF TRICLINIC LYSOZYME. II. THE METHOD OF STEREOCHEMICALLY RESTRAINED LEAST-SQUARES
分子名称: HEN EGG WHITE LYSOZYME, NITRATE ION
著者Ramanadham, M, Sieker, L.C, Jensen, L.H.
登録日1989-08-21
公開日1990-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Refinement of triclinic lysozyme: II. The method of stereochemically restrained least squares.
Acta Crystallogr.,Sect.B, 46, 1990
5BX2
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BU of 5bx2 by Molmil
Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with 2-deoxy-2-fluoroglucoside
分子名称: 1,2-ETHANEDIOL, 2-deoxy-2-fluoro-alpha-D-glucopyranose, CALCIUM ION, ...
著者Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R.
登録日2015-06-08
公開日2016-05-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2)
Acs Chem.Biol., 11, 2016
2MAD
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BU of 2mad by Molmil
THE ACTIVE SITE STRUCTURE OF METHYLAMINE DEHYDROGENASE: HYDRAZINES IDENTIFY C6 AS THE REACTIVE SITE OF THE TRYPTOPHAN DERIVED QUINONE COFACTOR
分子名称: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), METHYLAMINE DEHYDROGENASE (LIGHT SUBUNIT)
著者Huizinga, E.G, Vellieux, F.M.D, Hol, W.G.J.
登録日1992-05-20
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the tryptophan-derived quinone cofactor.
Biochemistry, 31, 1992
2IVN
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BU of 2ivn by Molmil
Structure of UP1 protein
分子名称: GLYCEROL, MAGNESIUM ION, O-SIALOGLYCOPROTEIN ENDOPEPTIDASE, ...
著者Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P.
登録日2006-06-14
公開日2007-07-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro.
Nucleic Acids Res., 35, 2007
5BZ6
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BU of 5bz6 by Molmil
Crystal structure of the N-terminal domain single mutant (S92A) of the human mitochondrial calcium uniporter fused with T4 lysozyme
分子名称: Lysozyme,Calcium uniporter protein, mitochondrial, SULFATE ION
著者Lee, Y, Min, C.K, Kim, T.G, Song, H.K, Lim, Y, Kim, D, Shin, K, Kang, M, Kang, J.Y, Youn, H.-S, Lee, J.-G, An, J.Y, Park, K.R, Lim, J.J, Kim, J.H, Kim, J.H, Park, Z.Y, Kim, Y.-S, Wang, J, Kim, D.H, Eom, S.H.
登録日2015-06-11
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure and function of the N-terminal domain of the human mitochondrial calcium uniporter.
Embo Rep., 16, 2015
6SJB
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BU of 6sjb by Molmil
Cryo-EM structure of the RecBCD Chi recognised complex
分子名称: DNA fork substrate, RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ...
著者Cheng, K, Wilkinson, M, Wigley, D.B.
登録日2019-08-13
公開日2020-01-01
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A conformational switch in response to Chi converts RecBCD from phage destruction to DNA repair.
Nat.Struct.Mol.Biol., 27, 2020
6SYP
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BU of 6syp by Molmil
Human DHODH bound to inhibitor IPP/CNRS-A017
分子名称: 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
著者Kraemer, A, Janin, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-09-30
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor
Eur.J.Med.Chem., 208, 2020
5WBP
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BU of 5wbp by Molmil
Structure of human Ketohexokinase complexed with hits from fragment screening
分子名称: 3-(trifluoromethyl)quinoxalin-2(1H)-one, GLYCEROL, Ketohexokinase, ...
著者Pandit, J.
登録日2017-06-29
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
2UWE
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BU of 2uwe by Molmil
Large CDR3a loop alteration as a function of MHC mutation
分子名称: AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, BETA-2-MICROGLOBULIN, ...
著者Miller, P.J, Pazy, Y, Conti, B, Riddle, D, Biddison, W.E, Appella, E, Collins, E.J.
登録日2007-03-20
公開日2007-09-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Single Mhc Mutation Eliminates Enthalpy Associated with T Cell Receptor Binding.
J.Mol.Biol., 373, 2007
2MYY
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Solution structure of an MbtH-like protein from Mycobacterium marinum, Seattle Structural Genomics Center for Infectious Disease target MymaA.01649.c
分子名称: Conserved hypothetical MbtH-like protein
著者Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-02-02
公開日2015-04-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of an MbtH-like protein from Mycobacterium marinum, Seattle Structural Genomics Center for Infectious Disease target MymaA.01649.c
To be Published
6T0G
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Crystal structure of CYP124 in complex with vitamin D3
分子名称: (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, MAGNESIUM ION, Methyl-branched lipid omega-hydroxylase, ...
著者Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
登録日2019-10-03
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
2MQ1
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Phosphotyrosine binding domain
分子名称: E3 ubiquitin-protein ligase Hakai, ZINC ION
著者Mukherjee, M, Jing-Song, F, Sivaraman, J.
登録日2014-06-11
公開日2014-08-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Dimeric switch of Hakai-truncated monomers during substrate recognition: insights from solution studies and NMR structure.
J.Biol.Chem., 289, 2014
6SEZ
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BU of 6sez by Molmil
X-ray structure of the gold/lysozyme adduct formed upon 24h exposure of protein crystals to compound 1
分子名称: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
著者Ferraro, G, Giorgio, A, Merlino, A.
登録日2019-07-30
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme.
Dalton Trans, 48, 2019
2C7U
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BU of 2c7u by Molmil
Conflicting selective forces affect CD8 T-cell receptor contact sites in an HLA-A2 immunodominant HIV epitope.
分子名称: BETA-2-MICROGLOBULIN, GAG PROTEIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
著者Iversen, A.K, Stewart-Jones, G, Learn, G.H, Christie, N, Sylvester-Hviid, C, Armitage, A.E, Kaul, R, Beattie, T, Lee, J.K, Li, Y, Chotiyarnwong, P, Dong, T, Xu, X, Luscher, M.A, MacDonald, K, Ullum, H, Klarlund-Pedersen, B, Skinhoj, P, Fugger, J.L, Buus, S, Mullins, J.I, Jones, E.Y, van der Merwe, P.A, McMichael, A.J.
登録日2005-11-29
公開日2006-03-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Conflicting Selective Forces Affect T Cell Receptor Contacts in an Immunodominant Human Immunodeficiency Virus Epitope.
Nat.Immunol., 7, 2006

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