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4HAL
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BU of 4hal by Molmil
Multicopper Oxidase CueO mutant E506I
Descriptor: ACETATE ION, Blue copper oxidase CueO, COPPER (II) ION, ...
Authors:Komori, H, Kataoka, K, Sakurai, T, Higuchi, Y.
Deposit date:2012-09-26
Release date:2013-10-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Multicopper Oxidase CueO mutant E506I
TO BE PUBLISHED
3HGB
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BU of 3hgb by Molmil
Crystal structure of glycine cleavage system protein H from Mycobacterium tuberculosis
Descriptor: Glycine cleavage system H protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-05-13
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:X-ray structure determination of the glycine cleavage system protein H of Mycobacterium tuberculosis using an inverse Compton synchrotron X-ray source.
J.Struct.Funct.Genom., 11, 2010
4HG4
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BU of 4hg4 by Molmil
Crystal structure of Fab 2G1 in complex with a H2N2 influenza virus hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 2G1 heavy chain, ...
Authors:Xu, R, Wilson, I.A.
Deposit date:2012-10-06
Release date:2013-02-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A recurring motif for antibody recognition of the receptor-binding site of influenza hemagglutinin.
Nat.Struct.Mol.Biol., 20, 2013
3HJD
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BU of 3hjd by Molmil
X-ray structure of monomeric variant of HNP1
Descriptor: Human neutrophil peptide 1
Authors:Lubkowski, J, Pazgier, M, Lu, W.
Deposit date:2009-05-21
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:What Dictates the Multifaced Functions of the Human alpha-Defensin HNP?
To be Published
4HBI
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BU of 4hbi by Molmil
SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, DEOXY FORM
Descriptor: HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Royer Junior, W.E.
Deposit date:1998-06-24
Release date:1998-11-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
7MSD
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BU of 7msd by Molmil
Structure of EED bound to EEDi-6068
Descriptor: (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED
Authors:Petrunak, E, Stuckey, J.
Deposit date:2021-05-11
Release date:2021-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
7MSB
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BU of 7msb by Molmil
Structure of EED bound to EEDi-4259
Descriptor: (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED
Authors:Petrunak, E, Stuckey, J.
Deposit date:2021-05-11
Release date:2021-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
3KM5
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BU of 3km5 by Molmil
Crystal Structure Analysis of the K2 Cleaved Adhesin Domain of Lys-gingipain (Kgp)
Descriptor: CALCIUM ION, GLYCEROL, Lysine specific cysteine protease, ...
Authors:Li, N, Collyer, C.A, Hunter, N.
Deposit date:2009-11-09
Release date:2010-03-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure determination and analysis of a haemolytic gingipain adhesin domain from Porphyromonas gingivalis
Mol.Microbiol., 76, 2010
7MK1
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BU of 7mk1 by Molmil
Structure of a protein-modified aptamer complex
Descriptor: Antiviral innate immune response receptor RIG-I, DNA (41-MER), MAGNESIUM ION, ...
Authors:Ren, X, Pyle, A.M.
Deposit date:2021-04-21
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evolving A RIG-I Antagonist: A Modified DNA Aptamer Mimics Viral RNA.
J.Mol.Biol., 433, 2021
4R93
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BU of 4r93 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium
Descriptor: 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P, Strickland, C, Caldwell, J.P.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4RBO
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BU of 4rbo by Molmil
Crystal structure of a Nanog homeobox (NANOG) from Homo sapiens at 3.30 A resolution
Descriptor: 5'-D(*CP*TP*TP*GP*AP*AP*TP*GP*GP*GP*CP*C)-3', 5'-D(*GP*GP*CP*CP*CP*AP*TP*TP*CP*AP*AP*G)-3', Putative homeobox protein NANOGP8
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-09-12
Release date:2014-10-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure-based discovery of NANOG variant with enhanced properties to promote self-renewal and reprogramming of pluripotent stem cells.
Proc.Natl.Acad.Sci.USA, 112, 2015
4R4V
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BU of 4r4v by Molmil
Crystal structure of the VS ribozyme - G638A mutant
Descriptor: MAGNESIUM ION, POTASSIUM ION, VS ribozyme RNA
Authors:Piccirilli, J.A, Suslov, N.B, Dasgupta, S, Huang, H, Lilley, D.M.J, Rice, P.A.
Deposit date:2014-08-19
Release date:2015-09-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Crystal structure of the Varkud satellite ribozyme.
Nat.Chem.Biol., 11, 2015
4JG9
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BU of 4jg9 by Molmil
X-ray Crystal Structure of a Putative Lipoprotein from Bacillus anthracis
Descriptor: Lipoprotein
Authors:Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-02-28
Release date:2013-03-20
Method:X-RAY DIFFRACTION (2.425 Å)
Cite:X-ray Crystal Structure of a Putative Lipoprotein from Bacillus anthracis
To be Published
4M2L
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BU of 4m2l by Molmil
Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus in nucleotide-free form
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, SULFATE ION, ...
Authors:Nikonov, O.S, Stolboushkina, E.A, Arkhipova, V.I, Gabdulkhakov, A.G, Nikulin, A.D, Garber, M.B, Nikonov, S.V.
Deposit date:2013-08-05
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2.
Acta Crystallogr.,Sect.D, 70, 2014
4J8Y
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BU of 4j8y by Molmil
E3_5 DARPin D77S mutant
Descriptor: DARPin_E3_5_D77S
Authors:Seeger, M.A, Gruetter, M.G.
Deposit date:2013-02-15
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, construction, and characterization of a second-generation DARPin library with reduced hydrophobicity.
Protein Sci., 22, 2013
3KHP
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BU of 3khp by Molmil
Crystal structure of a possible dehydrogenase from Mycobacterium tuberculosis at 2.3A resolution
Descriptor: CHLORIDE ION, L(+)-TARTARIC ACID, MaoC family protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-30
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
7MFI
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BU of 7mfi by Molmil
Bovine sigma-2 receptor bound to cholesterol
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLESTEROL, ...
Authors:Alon, A, Kruse, A.C.
Deposit date:2021-04-09
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
4S2X
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BU of 4s2x by Molmil
Structure of E. coli RppH bound to RNA and two magnesium ions
Descriptor: MAGNESIUM ION, RNA (5'-R(*(APC)*GP*U)-3'), RNA pyrophosphohydrolase, ...
Authors:Vasilyev, N, Serganov, A.
Deposit date:2015-01-23
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay.
J.Biol.Chem., 290, 2015
4JDN
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BU of 4jdn by Molmil
Secreted Chlamydial Protein PGP3, C-terminal Domain
Descriptor: GLYCEROL, POTASSIUM ION, Virulence plasmid protein pGP3-D
Authors:Galaleldeen, A, Taylor, A.B, Chen, D, Holloway, S.P, Zhong, G, Hart, P.J.
Deposit date:2013-02-25
Release date:2013-06-05
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Chlamydia trachomatis immunodominant antigen Pgp3.
J.Biol.Chem., 288, 2013
4M1S
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BU of 4m1s by Molmil
Crystal Structure of small molecule vinylsulfonamide 13 covalently bound to K-Ras G12C
Descriptor: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Authors:Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
Deposit date:2013-08-04
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4JPY
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BU of 4jpy by Molmil
Iron and phenylalanine bound crystal structure of phenylalanine hydroxylase from Chromobacterium violaceum
Descriptor: FE (III) ION, PHENYLALANINE, Phenylalanine-4-hydroxylase
Authors:Ronau, J.A, Abu-Omar, M.M, Das, C.
Deposit date:2013-03-19
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:An additional substrate binding site in a bacterial phenylalanine hydroxylase.
Eur.Biophys.J., 42, 2013
7M4M
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BU of 7m4m by Molmil
Crystal structure of RBR E3 ligase RNF216 with ubiquitin
Descriptor: E3 ubiquitin-protein ligase RNF216, GLYCEROL, Ubiquitin, ...
Authors:Cotton, T.R, Lechtenberg, B.C.
Deposit date:2021-03-21
Release date:2022-01-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural basis of K63-ubiquitin chain formation by the Gordon-Holmes syndrome RBR E3 ubiquitin ligase RNF216.
Mol.Cell, 82, 2022
3KP2
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BU of 3kp2 by Molmil
Staphylococcus epidermidis TcaR in complex with penicillin G
Descriptor: CACODYLATE ION, PENICILLIN G, Transcriptional regulator TcaR
Authors:Chang, Y.M, Chen, C.K, Wang, A.H.
Deposit date:2009-11-15
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis.
Proc.Natl.Acad.Sci.USA, 107, 2010
4N34
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BU of 4n34 by Molmil
Structure of langerin CRD I313 with alpha-MeGlcNAc
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Authors:Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E.
Deposit date:2013-10-06
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
7MQY
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BU of 7mqy by Molmil
Zebrafish CNTN4 APLP2 complex
Descriptor: Fusion protein of CNTN4 and APLP2
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021

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