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5Y6D
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BU of 5y6d by Molmil
VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 11)
Descriptor: (2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B.
Deposit date:2017-08-11
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:((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
Descriptor: ATP-dependent helicase VETFS, DNA-directed RNA polymerase, DNA-directed RNA polymerase 147 kDa polypeptide, ...
Authors:Grimm, C, Bartuli, J, Fischer, U.
Deposit date:2020-10-09
Release date:2021-10-06
Last modified:2021-10-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: 1-alpha-hydroxy-vitamin D3, CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, ...
Authors:Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
2XPG
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BU of 2xpg by Molmil
Crystal structure of a MHC class I-peptide complex
Descriptor: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-3 ALPHA CHAIN, ...
Authors:McMahon, R.M, Friis, L, Siebold, C, Friese, M.A, Fugger, L, Jones, E.Y.
Deposit date:2010-08-26
Release date:2011-04-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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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BU of 7b1o by Molmil
Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22
Descriptor: 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1
Authors:Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M.
Deposit date:2020-11-25
Release date:2021-09-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite: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
Descriptor: 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL, CALCIUM ION, INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE
Authors:Degano, M, Schramm, V.L, Sacchettini, J.C.
Deposit date:1996-10-17
Release date:1997-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Trypanosomal nucleoside hydrolase. A novel mechanism from the structure with a transition-state inhibitor.
Biochemistry, 37, 1998
2J45
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BU of 2j45 by Molmil
Water structure of T. Aquaticus Ffh NG Domain At 1.1A Resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Freymann, D.M, Ramirez, U.D.
Deposit date:2006-08-24
Release date:2006-11-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite: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.
Descriptor: HEN EGG WHITE LYSOZYME
Authors:Artymiuk, P.J, Blake, C.C.F, Rice, D.W, Wilson, K.S.
Deposit date:1981-06-29
Release date:1981-09-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (6 Å)
Cite: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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BU of 2j7i by Molmil
ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMINAL SH3 DOMAIN. CMS:CD2 HETERODIMER
Descriptor: CD2-ASSOCIATED PROTEIN, T-CELL SURFACE ANTIGEN CD2
Authors:Moncalian, G, Cardenes, N, Deribe, Y.L, Spinola-Amilibia, M, Dikic, I, Bravo, J.
Deposit date:2006-10-09
Release date:2006-11-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Atypical Polyproline Recognition by the Cms N-Terminal Src Homology 3 Domain.
J.Biol.Chem., 281, 2006
2BXC
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BU of 2bxc by Molmil
Human serum albumin complexed with phenylbutazone
Descriptor: 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, SERUM ALBUMIN
Authors:Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S.
Deposit date:2005-07-26
Release date:2005-09-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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)
Descriptor: CD2-ASSOCIATED PROTEIN, SODIUM ION
Authors:Moncalian, G, Cardenes, N, Deribe, Y.L, Spinola-Amilibia, M, Dikic, I, Bravo, J.
Deposit date:2006-09-29
Release date:2006-10-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.77 Å)
Cite: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
Descriptor: HEN EGG WHITE LYSOZYME, NITRATE ION
Authors:Ramanadham, M, Sieker, L.C, Jensen, L.H.
Deposit date:1989-08-21
Release date:1990-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-deoxy-2-fluoro-alpha-D-glucopyranose, CALCIUM ION, ...
Authors:Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R.
Deposit date:2015-06-08
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite: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
Descriptor: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT), METHYLAMINE DEHYDROGENASE (LIGHT SUBUNIT)
Authors:Huizinga, E.G, Vellieux, F.M.D, Hol, W.G.J.
Deposit date:1992-05-20
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: GLYCEROL, MAGNESIUM ION, O-SIALOGLYCOPROTEIN ENDOPEPTIDASE, ...
Authors:Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P.
Deposit date:2006-06-14
Release date:2007-07-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: Lysozyme,Calcium uniporter protein, mitochondrial, SULFATE ION
Authors: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.
Deposit date:2015-06-11
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
Descriptor: DNA fork substrate, RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ...
Authors:Cheng, K, Wilkinson, M, Wigley, D.B.
Deposit date:2019-08-13
Release date:2020-01-01
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite: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
Descriptor: 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, ...
Authors:Kraemer, A, Janin, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-09-30
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 3-(trifluoromethyl)quinoxalin-2(1H)-one, GLYCEROL, Ketohexokinase, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.74 Å)
Cite: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
Descriptor: AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, BETA-2-MICROGLOBULIN, ...
Authors:Miller, P.J, Pazy, Y, Conti, B, Riddle, D, Biddison, W.E, Appella, E, Collins, E.J.
Deposit date:2007-03-20
Release date:2007-09-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Single Mhc Mutation Eliminates Enthalpy Associated with T Cell Receptor Binding.
J.Mol.Biol., 373, 2007
2MYY
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BU of 2myy by Molmil
Solution structure of an MbtH-like protein from Mycobacterium marinum, Seattle Structural Genomics Center for Infectious Disease target MymaA.01649.c
Descriptor: Conserved hypothetical MbtH-like protein
Authors:Buchko, G.W, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-02-02
Release date:2015-04-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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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BU of 6t0g by Molmil
Crystal structure of CYP124 in complex with vitamin D3
Descriptor: (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, ...
Authors:Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
Deposit date:2019-10-03
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
2MQ1
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BU of 2mq1 by Molmil
Phosphotyrosine binding domain
Descriptor: E3 ubiquitin-protein ligase Hakai, ZINC ION
Authors:Mukherjee, M, Jing-Song, F, Sivaraman, J.
Deposit date:2014-06-11
Release date:2014-08-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
Authors:Ferraro, G, Giorgio, A, Merlino, A.
Deposit date:2019-07-30
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.22 Å)
Cite: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.
Descriptor: BETA-2-MICROGLOBULIN, GAG PROTEIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors: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.
Deposit date:2005-11-29
Release date:2006-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Conflicting Selective Forces Affect T Cell Receptor Contacts in an Immunodominant Human Immunodeficiency Virus Epitope.
Nat.Immunol., 7, 2006

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