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3FSZ
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BU of 3fsz by Molmil
Pseudomonas aeruginosa Azurin with mutated metal-binding loop sequence (CAAAAHAAAAM)
Descriptor: Azurin, COPPER (II) ION
Authors:Banfield, M.J.
Deposit date:2009-01-12
Release date:2009-03-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal-binding loop length and not sequence dictates structure.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FTY
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BU of 3fty by Molmil
Leukotriene A4 hydrolase in complex with fragment 3-(benzyloxy)pyridin-2-amine
Descriptor: 3-(BENZYLOXY)PYRIDIN-2-AMINE, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
2BI8
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BU of 2bi8 by Molmil
udp-galactopyranose mutase from Klebsiella pneumoniae with reduced FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE
Authors:Beis, K, Srikannathasan, V, Naismith, J.H.
Deposit date:2005-01-20
Release date:2005-05-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structures of Mycobacteria Tuberculosis and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the Oxidised State and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the (Active) Reduced State.
J.Mol.Biol., 348, 2005
3W1F
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BU of 3w1f by Molmil
Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide
Descriptor: 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK
Authors:Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y.
Deposit date:2012-11-14
Release date:2013-06-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
3FVM
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BU of 3fvm by Molmil
Crystal structure of Steptococcus suis mannonate dehydratase with metal Mn++
Descriptor: MANGANESE (II) ION, Mannonate dehydratase
Authors:Peng, H, Zhang, Q.J, Gao, F, Liu, Y, Gao, F.G.
Deposit date:2009-01-16
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of Streptococcus suis mannonate dehydratase (ManD) and its complex with substrate: genetic and biochemical evidence for a catalytic mechanism
J.Bacteriol., 191, 2009
3FRR
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BU of 3frr by Molmil
Structure of human IST1(NTD) - (residues 1-189)(P21)
Descriptor: Uncharacterized protein KIAA0174
Authors:Schubert, H.L, Hill, C.P, Bajorek, M, Sundquist, W.I.
Deposit date:2009-01-08
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for ESCRT-III protein autoinhibition.
Nat.Struct.Mol.Biol., 16, 2009
3FUI
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BU of 3fui by Molmil
Leukotriene A4 hydrolase in complex with N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
Descriptor: IMIDAZOLE, Leukotriene A-4 hydrolase, N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FWV
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BU of 3fwv by Molmil
Crystal Structure of a Redesigned TPR Protein, T-MOD(VMY), in Complex with MEEVF Peptide
Descriptor: Heat shock protein HSP 90-beta, Hsc70/Hsp90-organizing protein, NICKEL (II) ION
Authors:Jackrel, M.E, Valverde, R, Regan, L.
Deposit date:2009-01-19
Release date:2009-04-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Redesign of a protein-peptide interaction: characterization and applications
Protein Sci., 18, 2009
3FYB
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BU of 3fyb by Molmil
Crystal structure of a protein of unknown function (DUF1244) from Alcanivorax borkumensis
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Singer, A.U, Evdokimova, E, Kagan, O, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-01-22
Release date:2009-02-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a protein of unknown function (DUF1244) from Alcanivorax borkumensis
To be Published
7JVS
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BU of 7jvs by Molmil
Crystal Structure of an Essential Ribosomal Processing Protease Prp from S. aureus in complex with a Substrate Peptide
Descriptor: CALCIUM ION, L27 ribosomal peptide, NICKEL (II) ION, ...
Authors:Wright, H.T, Peterson, D.
Deposit date:2020-08-22
Release date:2021-09-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of an Essential Ribosomal Processing Protease Prp from S. aureus in complex with a Substrate Peptide
To be published
2GYO
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BU of 2gyo by Molmil
Methanethiol-Cys 112 Inhibition Complex of E. Coli Ketoacyl Synthase III (FabH) and Coenzyme A
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3, COENZYME A, METHANETHIOL, ...
Authors:Alhamadsheh, M.M, Musayev, F, Komissarov, A.A, Sachdeva, S, Wright, H.T, Scarsdale, N, Florova, G, Reynolds, K.A.
Deposit date:2006-05-09
Release date:2007-06-05
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Alkyl-CoA Disulfides as Inhibitors and Mechanistic Probes for FabH Enzymes.
Chem.Biol., 14, 2007
3FU5
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BU of 3fu5 by Molmil
Leukotriene A4 hydrolase in complex with (5-thiophen-2-ylthiophen-2-yl)methylamine
Descriptor: 1-(2,2'-bithiophen-5-yl)methanamine, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3V3E
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BU of 3v3e by Molmil
Crystal Structure of the Human Nur77 Ligand-binding Domain
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
Deposit date:2011-12-13
Release date:2012-09-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
3UWE
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BU of 3uwe by Molmil
AKR1C3 complexed with 3-phenoxybenzoic acid
Descriptor: 1,2-ETHANEDIOL, 3-phenoxybenzoic acid, Aldo-keto reductase family 1 member C3, ...
Authors:Jackson, V.J, Yosaatmadja, Y, Flanagan, J.U, Squire, C.J.
Deposit date:2011-12-01
Release date:2012-04-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of AKR1C3 with 3-phenoxybenzoic acid bound
Acta Crystallogr.,Sect.F, 68, 2012
2BXX
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BU of 2bxx by Molmil
Crystal structure of the N-terminal domain of IBV coronavirus nucleocapsid. Native crystal form
Descriptor: NUCLEOCAPSID PROTEIN
Authors:Fan, H, Ooi, A, Liu, D.-X, Lescar, J.
Deposit date:2005-07-28
Release date:2005-12-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Nucleocapsid Protein of Coronavirus Infectious Bronchitis Virus: Crystal Structure of its N-Terminal Domain and Multimerization Properties.
Structure, 13, 2005
2BI7
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BU of 2bi7 by Molmil
udp-galactopyranose mutase from Klebsiella pneumoniae oxidised FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE
Authors:Beis, K, Srikannathasan, V, Naismith, J.
Deposit date:2005-01-20
Release date:2005-05-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Mycobacteria Tuberculosis and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the Oxidised State and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the (Active) Reduced State.
J.Mol.Biol., 348, 2005
3VG3
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BU of 3vg3 by Molmil
Cadmium derivative of human LFABP
Descriptor: CADMIUM ION, Fatty acid-binding protein, liver, ...
Authors:Sharma, A, Yogavel, M, Sharma, A.
Deposit date:2011-08-03
Release date:2012-06-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3VNW
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BU of 3vnw by Molmil
Crystal structure of cytochrome c552 from Thermus thermophilus at pH 5.44
Descriptor: Cytochrome c-552, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yamada, S, Bouley-Ford, N.D, Keller, G.E, Winkler, J.R, Gray, H.B.
Deposit date:2012-01-18
Release date:2013-01-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Snapshots of a protein folding intermediate
Proc.Natl.Acad.Sci.USA, 110, 2013
1Z6X
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BU of 1z6x by Molmil
Structure Of Human ADP-Ribosylation Factor 4
Descriptor: ADP-ribosylation factor 4, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Choe, J, Atanassova, A, Arrowsmith, C, Edwards, A, Sundstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2005-03-23
Release date:2005-04-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure Of Human ADP-Ribosylation Factor 4
To be Published
3STE
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BU of 3ste by Molmil
Crystal structure of a mutant (Q202A) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, SODIUM ION
Authors:Allison, T.M, Jameson, G.B, Gloyne, B.J, Parker, E.J.
Deposit date:2011-07-09
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:An Extended (beta)7(alpha)7 Substrate-Binding Loop Is Essential for Efficient Catalysis by 3-Deoxy-D-manno-Octulosonate 8-Phosphate Synthase
Biochemistry, 50, 2011
2C4C
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BU of 2c4c by Molmil
Crystal structure of the NADPH-treated monooxygenase domain of MICAL
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, NEDD9-INTERACTING PROTEIN WITH CALPONIN HOMOLOGY AND LIM DOMAINS
Authors:Siebold, C, Berrow, N, Walter, T.S, Harlos, K, Owens, R.J, Terman, J.R, Stuart, D.I, Kolodkin, A.L, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2005-10-18
Release date:2005-10-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:High-Resolution Structure of the Catalytic Region of Mical (Molecule Interacting with Casl), a Multidomain Flavoenzyme-Signaling Molecule.
Proc.Natl.Acad.Sci.USA, 102, 2005
2BNN
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BU of 2bnn by Molmil
The structure of Hydroxypropylphosphonic acid epoxidase from S. wedmorenis in complex with fosfomycin
Descriptor: EPOXIDASE, FOSFOMYCIN, ZINC ION
Authors:McLuskey, K, Cameron, S, Hunter, W.N.
Deposit date:2005-03-29
Release date:2005-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Reactivity of Hydroxypropylphosphonic Acid Epoxidase in Fosfomycin Biosynthesis by a Cation- and Flavin-Dependent Mechanism.
Proc.Natl.Acad.Sci.USA, 102, 2005
2H1U
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BU of 2h1u by Molmil
Porcine pancreatic elastase complexed with MetPheLeuGlu at pH 5.0
Descriptor: CALCIUM ION, Elastase-1, MFLE, ...
Authors:Liu, B, Schofield, C.J, Wilmouth, R.C.
Deposit date:2006-05-17
Release date:2006-05-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analyses on intermediates in serine protease catalysis.
J.Biol.Chem., 281, 2006
3WJC
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BU of 3wjc by Molmil
Crystal structure of mutant nitrobindin M75L/H76L/Q96C/M148L/H158L covalently linked with [Rh(Cp-Mal)(COD)] (NB4-Rh) from Arabidopsis thaliana
Descriptor: BARIUM ION, UPF0678 fatty acid-binding protein-like protein At1g79260, [(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium
Authors:Mizohata, E, Fukumoto, K, Onoda, A, Bocola, M, Arlt, M, Inoue, T, Schwaneberg, U, Hayashi, T.
Deposit date:2013-10-08
Release date:2014-04-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Rhodium Complex-linked Hybrid Biocatalyst: Stereo-controlled Phenylacetylene Polymerization within an Engineered Protein Cavity
CHEMCATCHEM, 2014
2BA9
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BU of 2ba9 by Molmil
Crystal structure of CLA-producing fatty acid isomerase from P. acnes
Descriptor: DODECAETHYLENE GLYCOL, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ...
Authors:Rudoplh, M.G, Liavonchanka, A.
Deposit date:2005-10-14
Release date:2006-01-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and mechanism of the Propionibacterium acnes polyunsaturated fatty acid isomerase
Proc.Natl.Acad.Sci.Usa, 103, 2006

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