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2GJ9
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BU of 2gj9 by Molmil
Structure of the MnmE G-domain in complex with GDP*AlF4-, Mg2+ and Rb+
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RUBIDIUM ION, ...
Authors:Scrima, A, Wittinghofer, A.
Deposit date:2006-03-30
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dimerisation-dependent GTPase reaction of MnmE: how potassium acts as GTPase-activating element.
Embo J., 25, 2006
5EC8
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BU of 5ec8 by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND COMPOUND BF175
Descriptor: 2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid, Genome polyprotein, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-20
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.714 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
3CA2
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BU of 3ca2 by Molmil
CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H
Descriptor: 3-MERCURI-4-AMINOBENZENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Eriksson, A.E, Jones, T.A, Liljas, A.
Deposit date:1989-10-02
Release date:1990-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH.
Proteins, 4, 1988
3F45
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BU of 3f45 by Molmil
Structure of the R75A mutant of rat alpha-Parvalbumin
Descriptor: CALCIUM ION, Parvalbumin alpha, SULFATE ION
Authors:Hoh, F, Padilla, A.
Deposit date:2008-10-31
Release date:2009-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Removing the invariant salt bridge of parvalbumin increases flexibility in the AB-loop structure
Acta Crystallogr.,Sect.D, 65, 2009
3F4F
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BU of 3f4f by Molmil
Crystal structure of dUT1p, a dUTPase from Saccharomyces cerevisiae
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, A.U, Evdokimova, E, Kudritska, M, Edwards, A.M, Yakunin, A.F, Savchenko, A.
Deposit date:2008-10-31
Release date:2008-11-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and activity of the Saccharomyces cerevisiae dUTP pyrophosphatase DUT1, an essential housekeeping enzyme.
Biochem.J., 437, 2011
5DL6
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BU of 5dl6 by Molmil
Crystal structure of Acinetobacter baumannii OccAB2
Descriptor: Putative porin for vanillate trafficking (VanP)
Authors:Zahn, M, Basle, A, van den Berg, B.
Deposit date:2015-09-04
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insights into Outer Membrane Permeability of Acinetobacter baumannii.
Structure, 24, 2016
2L72
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BU of 2l72 by Molmil
Solution structure and dynamics of ADF from Toxoplasma gondii (TgADF)
Descriptor: Actin depolymerizing factor, putative
Authors:Pathak, P.P, Shukla, V.K, Yadav, R, Jain, A, Srivastava, S, Tripathi, S, Pulavarti, S.V.S.R.K, Arora, A.
Deposit date:2010-12-01
Release date:2011-08-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure and dynamics of ADF from Toxoplasma gondii
J.Struct.Biol., 176, 2011
5HZ5
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BU of 5hz5 by Molmil
FABP5 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-quinoline
Descriptor: 6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:Ehler, A, Rudolph, M.G.
Deposit date:2016-02-02
Release date:2017-01-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
3AJ6
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BU of 3aj6 by Molmil
HA1 (HA33) mutant F179I of botulinum type C progenitor toxin complexed with N-acetylgalactosamine, bound at site II
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, Main hemagglutinin component
Authors:Nakamura, T, Tonozuka, T, Sato, R, Oguma, K, Nishikawa, A.
Deposit date:2010-05-24
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Molecular diversity of the two sugar-binding sites of the beta-trefoil lectin HA33/C (HA1) from Clostridium botulinum type C neurotoxin
Arch.Biochem.Biophys., 512, 2011
1Z60
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BU of 1z60 by Molmil
Solution structure of the carboxy-terminal domain of human TFIIH P44 subunit
Descriptor: TFIIH basal transcription factor complex p44 subunit, ZINC ION
Authors:Kellenberger, E, Dominguez, C, Fribourg, S, Wasielewski, E, Moras, D, Poterszman, A, Boelens, R, Kieffer, B.
Deposit date:2005-03-21
Release date:2005-04-12
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal domain of TFIIH P44 subunit reveals a novel type of C4C4 ring domain involved in protein-protein interactions.
J.Biol.Chem., 280, 2005
5DQ1
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BU of 5dq1 by Molmil
Endothiapepsin in complex with fragment 34
Descriptor: 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ...
Authors:Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G.
Deposit date:2015-09-14
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
2FG5
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BU of 2fg5 by Molmil
Crystal structure of human RAB31 in complex with a GTP analogue
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-31
Authors:Tempel, W, Wang, J, Ismail, S, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2005-12-21
Release date:2006-01-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Crystal structure of human RAB31 in complex with a GTP analogue
To be Published
4K55
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BU of 4k55 by Molmil
Structure of the extracellular domain of butyrophilin BTN3A1 in complex with (E)-4-hydroxy-3-methyl-but-2-enyl pyrophosphate (HMBPP)
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1
Authors:Kumar, A, Mori, L, De Libero, G.
Deposit date:2013-04-13
Release date:2013-07-24
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Butyrophilin 3A1 binds phosphorylated antigens and stimulates human gamma delta T cells.
Nat.Immunol., 14, 2013
1DCS
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BU of 1dcs by Molmil
DEACETOXYCEPHALOSPORIN C SYNTHASE FROM S. CLAVULIGERUS
Descriptor: DEACETOXYCEPHALOSPORIN C SYNTHASE, SULFATE ION
Authors:Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Schofield, C.J, Hajdu, J, Andersson, I.
Deposit date:1998-06-05
Release date:1999-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of a cephalosporin synthase.
Nature, 394, 1998
1INV
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BU of 1inv by Molmil
A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES
Descriptor: (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M.
Deposit date:1994-09-26
Release date:1995-02-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
2L12
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BU of 2l12 by Molmil
Solution NMR structure of the chromobox protein 7 with H3K9me3
Descriptor: Chromobox homolog 7, Histone H3
Authors:Kaustov, L, Lemak, A, Gutmanas, A, Fares, C, Quang, H, Loppnau, P, Min, J, Edwards, A, Arrowsmith, C, Structural Genomics Consortium (SGC)
Deposit date:2010-07-22
Release date:2010-08-04
Last modified:2020-02-05
Method:SOLUTION NMR
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
1Z7J
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BU of 1z7j by Molmil
Human transthyretin (also called prealbumin) complex with 3, 3',5,5'-tetraiodothyroacetic acid (t4ac)
Descriptor: 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Transthyretin
Authors:Neumann, P, Wojtczak, A, Cody, V.
Deposit date:2005-03-25
Release date:2005-06-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ligand binding at the transthyretin dimer-dimer interface: structure of the transthyretin-T4Ac complex at 2.2 Angstrom resolution.
Acta Crystallogr.,Sect.D, 61, 2005
5SZC
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BU of 5szc by Molmil
Structure of human Dpf3 double-PHD domain bound to histone H3 tail peptide with monomethylated K4 and acetylated K14
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Histone H3 tail peptide, ZINC ION, ...
Authors:Singh, N, Local, A, Shiau, A, Ren, B, Corbett, K.D.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.193 Å)
Cite:Identification of H3K4me1-associated proteins at mammalian enhancers.
Nat. Genet., 50, 2018
3AJ5
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BU of 3aj5 by Molmil
HA1 (HA33) subcomponent of botulinum type C progenitor toxin complexed with N-acetylgalactosamine, bound at site II
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, Main hemagglutinin component
Authors:Nakamura, T, Tonozuka, T, Sato, R, Oguma, K, Nishikawa, A.
Deposit date:2010-05-24
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular diversity of the two sugar-binding sites of the beta-trefoil lectin HA33/C (HA1) from Clostridium botulinum type C neurotoxin
Arch.Biochem.Biophys., 512, 2011
1DK1
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BU of 1dk1 by Molmil
DETAILED VIEW OF A KEY ELEMENT OF THE RIBOSOME ASSEMBLY: CRYSTAL STRUCTURE OF THE S15-RRNA COMPLEX
Descriptor: 30S RIBOSOMAL PROTEIN S15, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Nikulin, A, Serganov, A, Ennifar, E, Tischenko, S, Nevskaya, N.
Deposit date:1999-12-06
Release date:2000-04-02
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the S15-rRNA complex.
Nat.Struct.Biol., 7, 2000
2Y42
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BU of 2y42 by Molmil
Structure of Isopropylmalate dehydrogenase from Thermus thermophilus - complex with NADH and Mn
Descriptor: 3-ISOPROPYLMALATE DEHYDROGENASE, BICINE, MANGANESE (II) ION, ...
Authors:Graczer, E, merlin, A, Singh, R.K, Manikandan, K, Zavodsky, P, Weiss, M.S, Vas, M.
Deposit date:2011-01-04
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Atomic Level Description of the Domain Closure in a Dimeric Enzyme: Thermus Thermophilus 3-Isopropylmalate Dehydrogenase.
Mol.Biosyst., 7, 2011
1DKE
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BU of 1dke by Molmil
NI BETA HEME HUMAN HEMOGLOBIN
Descriptor: HEMOGLOBIN: ALPHA CHAIN, HEMOGLOBIN: BETA CHAIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Bruno, S, Bettatti, S, Mozzarelli, A, Bolognesi, M, Deriu, D, Rosano, C, Tsuneshige, A, Yonetani, T, Henry, E.R.
Deposit date:1999-12-07
Release date:2000-05-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Oxygen binding by alpha(Fe2+)2beta(Ni2+)2 hemoglobin crystals.
Protein Sci., 9, 2000
1DEK
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BU of 1dek by Molmil
DEOXYNUCLEOSIDE MONOPHOSPHATE KINASE COMPLEXED WITH DEOXY-GMP
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DEOXYNUCLEOSIDE MONOPHOSPHATE KINASE, MAGNESIUM ION
Authors:Teplyakov, A, Sebastiao, P.
Deposit date:1996-01-09
Release date:1997-01-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of bacteriophage T4 deoxynucleotide kinase with its substrates dGMP and ATP.
EMBO J., 15, 1996
3GW6
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BU of 3gw6 by Molmil
Intramolecular Chaperone
Descriptor: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Schulz, E.C, Dickmanns, A, Ficner, R.
Deposit date:2009-03-31
Release date:2010-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of an intramolecular chaperone mediating triple-beta-helix folding.
Nat.Struct.Mol.Biol., 17, 2010
2LK9
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BU of 2lk9 by Molmil
Structure of BST-2/Tetherin Transmembrane Domain
Descriptor: Bone marrow stromal antigen 2
Authors:Skasko, M, Wang, Y, Tian, Y, Tokarev, A, Munguia, J, Ruiz, A, Stephens, E, Opella, S, Guatelli, J.
Deposit date:2011-10-07
Release date:2011-11-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:HIV-1 Vpu Protein Antagonizes Innate Restriction Factor BST-2 via Lipid-embedded Helix-Helix Interactions.
J.Biol.Chem., 287, 2012

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