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5VZ8
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BU of 5vz8 by Molmil
Post-catalytic complex of human Polymerase Mu (G433A) mutant with incoming UTP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2017-05-27
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
5HOX
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BU of 5hox by Molmil
X-ray crystallographic structure of an A-beta 17_36 beta-hairpin. Synchrotron data set. (LVFFAEDCGSNKCAII(SAR)LMV).
Descriptor: Amyloid beta A4 protein, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
Authors:Kreutzer, A.G, Nowick, J.S, Spencer, R.K.
Deposit date:2016-01-19
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Crystallographic Structures of a Trimer, Dodecamer, and Annular Pore Formed by an A beta 17-36 beta-Hairpin.
J.Am.Chem.Soc., 138, 2016
2OJJ
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BU of 2ojj by Molmil
Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
3HRD
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BU of 3hrd by Molmil
Crystal structure of nicotinate dehydrogenase
Descriptor: CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Wagener, N, Pierik, A.J, Hille, R, Dobbek, H.
Deposit date:2009-06-09
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Mo-Se active site of nicotinate dehydrogenase
Proc.Natl.Acad.Sci.USA, 106, 2009
5HP5
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BU of 5hp5 by Molmil
Srtucture of human peptidylarginine deiminase type I (PAD1)
Descriptor: CALCIUM ION, Protein-arginine deiminase type-1
Authors:Unno, M, Nagai, A, Saijo, S, Shimizu, N, Kinjo, S, Mashimo, R, Kizawa, K, Takahara, H.
Deposit date:2016-01-20
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.198 Å)
Cite:Monomeric Form of Peptidylarginine Deiminase Type I Revealed by X-ray Crystallography and Small-Angle X-ray Scattering
J.Mol.Biol., 428, 2016
3AM8
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BU of 3am8 by Molmil
Crystal Structure of a Human Major Histocompatibilty complex
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
Authors:Chacko, J, Clements, C, Rossjohn, J.
Deposit date:2010-08-18
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of a Human Major Histocompatibility complex
To be Published
5HPN
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BU of 5hpn by Molmil
A circularly permuted PduA forming an icosahedral cage
Descriptor: Permuted PduA, SULFATE ION
Authors:Leibly, D.J, Jorda, J, Yeates, T.O.
Deposit date:2016-01-20
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.509 Å)
Cite:Structure of a novel 13 nm dodecahedral nanocage assembled from a redesigned bacterial microcompartment shell protein.
Chem.Commun.(Camb.), 52, 2016
2OJI
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BU of 2oji by Molmil
Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
3ANP
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BU of 3anp by Molmil
Crystal structure of Thermus thermophilus FadR, a TetR familly transcriptional repressor, in complex with lauroyl-CoA.
Descriptor: DODECYL-COA, LAURIC ACID, Transcriptional repressor, ...
Authors:Agari, Y, Agari, K, Sakamoto, K, Kuramitsu, S, Shinkai, A.
Deposit date:2010-09-06
Release date:2011-03-09
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:TetR-family transcriptional repressor Thermus thermophilus FadR controls fatty acid degradation.
Microbiology, 157, 2011
3AOC
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BU of 3aoc by Molmil
Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
Descriptor: Acriflavine resistance protein B, ERYTHROMYCIN A
Authors:Nakashima, R, Sakurai, K, Yamaguchi, A.
Deposit date:2010-09-23
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
Nature, 480, 2011
2OKN
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BU of 2okn by Molmil
Crystal Strcture of Human Prolidase
Descriptor: HYDROGENPHOSPHATE ION, MANGANESE (II) ION, Xaa-Pro dipeptidase
Authors:Mueller, U, Niesen, F.H, Roske, Y, Goetz, F, Behlke, J, Buessow, K, Heinemann, U, Protein Structure Factory (PSF)
Deposit date:2007-01-17
Release date:2007-02-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of Human Prolidase: The Molecular Basis of PD Disease.
To be Published
1Q1M
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BU of 1q1m by Molmil
A Highly Efficient Approach to a Selective and Cell Active PTP1B inhibitors
Descriptor: 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
Authors:Liu, G, Xin, Z, Pei, Z, Hajduk, P.J, Abad-Zapatero, C, Hutchins, C.W, Zhao, H, Lubben, T.H, Ballaron, S.J, Haasch, D.L, Kaszubska, W, Rondinone, C.M, Trevillyan, J.M, Jirousek, M.R.
Deposit date:2003-07-22
Release date:2003-09-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor.
J.Med.Chem., 46, 2003
5H6Z
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BU of 5h6z by Molmil
Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe
Descriptor: AMMONIUM ION, DI(HYDROXYETHYL)ETHER, SET domain-containing protein 7, ...
Authors:Mevius, D.E.H.F, Shen, Y, Morishita, M, Carrozzini, B, Caliandro, R, di Luccio, E.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Set7 Is a H3K37 Methyltransferase in Schizosaccharomyces pombe and Is Required for Proper Gametogenesis.
Structure, 27, 2019
5TCW
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BU of 5tcw by Molmil
ACC oxidase complex with nickel and acetate
Descriptor: 1-aminocyclopropane-1-carboxylate oxidase 1, ACETATE ION, NICKEL (II) ION
Authors:Gunawardana, D.M, Yosaatmadja, Y, Leung, I.K, Squire, C.J.
Deposit date:2016-09-15
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid
To Be Published
3HU2
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BU of 3hu2 by Molmil
Structure of p97 N-D1 R86A mutant in complex with ATPgS
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Tang, W.-K.
Deposit date:2009-06-12
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A novel ATP-dependent conformation in p97 N-D1 fragment revealed by crystal structures of disease-related mutants.
Embo J., 29, 2010
3AOU
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BU of 3aou by Molmil
Structure of the Na+ unbound rotor ring modified with N,N f-Dicyclohexylcarbodiimide of the Na+-transporting V-ATPase
Descriptor: DICYCLOHEXYLUREA, UNDECYL-MALTOSIDE, V-type sodium ATPase subunit K
Authors:Mizutani, K, Yamamoto, M, Yamato, I, Kakinuma, Y, Shirouzu, M, Yokoyama, S, Iwata, S, Murata, T.
Deposit date:2010-10-06
Release date:2011-08-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Structure of the rotor ring modified with N,N'-dicyclohexylcarbodiimide of the Na+-transporting vacuolar ATPase.
Proc.Natl.Acad.Sci.USA, 108, 2011
1Q2O
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BU of 1q2o by Molmil
Bovine endothelial nitric oxide synthase N368D mutant heme domain dimer with L-N(omega)-nitroarginine-2,4-L-diaminobutyramide bound
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
Authors:Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
Deposit date:2003-07-25
Release date:2004-01-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
1Q38
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BU of 1q38 by Molmil
Anastellin
Descriptor: Fibronectin
Authors:Briknarova, K, Akerman, M.E, Hoyt, D.W, Ruoslahti, E, Ely, K.R.
Deposit date:2003-07-28
Release date:2003-11-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Anastellin, an FN3 fragment with fibronectin polymerization activity, resembles amyloid fibril precursors
J.Mol.Biol., 332, 2003
3HW9
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BU of 3hw9 by Molmil
Cation selective pathway of OmpF porin revealed by anomalous x-ray diffraction
Descriptor: CHLORIDE ION, HEXAETHYLENE GLYCOL, Outer membrane protein F, ...
Authors:Balasundaresan, D, Raychaudhury, S, Blachowicz, L, Roux, B.
Deposit date:2009-06-17
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Cation-selective pathway of OmpF porin revealed by anomalous X-ray diffraction.
J.Mol.Biol., 396, 2010
5HUN
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BU of 5hun by Molmil
The crystal structure of neuraminidase from A/gyrfalcon/Washington/41088-6/2014 influenza virus
Descriptor: CALCIUM ION, Neuraminidase
Authors:Yang, H, Carney, P.J, Guo, Z, Chang, J.C, Stevens, J.
Deposit date:2016-01-27
Release date:2016-04-13
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Characterizations of Surface Proteins Hemagglutinin and Neuraminidase from Recent H5Nx Avian Influenza Viruses.
J.Virol., 90, 2016
1PXA
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BU of 1pxa by Molmil
CRYSTAL STRUCTURES OF MUTANT PSEUDOMONAS AERUGINOSA P-HYDROXYBENZOATE HYDROXYLASE: THE TYR201PHE, TYR385PHE, AND ASN300ASP VARIANTS
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Lah, M.S, Palfey, B.A, Schreuder, H.A, Ludwig, M.L.
Deposit date:1994-09-27
Release date:1995-02-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of mutant Pseudomonas aeruginosa p-hydroxybenzoate hydroxylases: the Tyr201Phe, Tyr385Phe, and Asn300Asp variants.
Biochemistry, 33, 1994
3I2O
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BU of 3i2o by Molmil
Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate and methylated trinucleotide T-meA-T
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB, DNA (5'-D(P*TP*(MA7)P*T)-3'), ...
Authors:Yu, B, Hunt, J.F.
Deposit date:2009-06-29
Release date:2009-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Enzymological and structural studies of the mechanism of promiscuous substrate recognition by the oxidative DNA repair enzyme AlkB.
Proc.Natl.Acad.Sci.USA, 106, 2009
5TFY
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BU of 5tfy by Molmil
The archaeal flagellum of Methanospirillum hungatei strain JF1.
Descriptor: Flagellin
Authors:Poweleit, N, Peng, G, Gunsalus, R.P, Zhou, Z.H.
Deposit date:2016-09-27
Release date:2016-12-07
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:CryoEM structure of the Methanospirillum hungatei archaellum reveals structural features distinct from the bacterial flagellum and type IV pili.
Nat Microbiol, 2, 2016
3I3B
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BU of 3i3b by Molmil
E.coli (lacz) Beta-Galactosidase (M542A) in Complex with D-Galactopyranosyl-1-on
Descriptor: Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ...
Authors:Dugdale, M.L, Dymianiw, D, Minhas, B, Huber, R.E.
Deposit date:2009-06-30
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Role of Met-542 as a guide for the conformational changes of Phe-601 that occur during the reaction of β-galactosidase (Escherichia coli).
Biochem.Cell Biol., 88, 2010
5TEY
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BU of 5tey by Molmil
Human METTL3-METTL14 complex
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ...
Authors:DONG, A, ZENG, H, LI, Y, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-09-23
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human METTL3-METTL14 complex
to be published

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