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6JPT
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BU of 6jpt by Molmil
Crystal structure of human PAC3 homodimer (trigonal form)
Descriptor: POTASSIUM ION, Proteasome assembly chaperone 3, THIOCYANATE ION
Authors:Satoh, T, Yagi-Utsumi, M, Okamoto, K, Kurimoto, E, Tanaka, K, Kato, K.
Deposit date:2019-03-27
Release date:2019-05-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Molecular and Structural Basis of the Proteasome alpha Subunit Assembly Mechanism Mediated by the Proteasome-Assembling Chaperone PAC3-PAC4 Heterodimer.
Int J Mol Sci, 20, 2019
5ZJ7
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BU of 5zj7 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative CY22
Descriptor: (2R)-2-methyl-N-(phenylmethyl)-3-sulfanyl-propanamide, 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-19
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
5JUG
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BU of 5jug by Molmil
Structure of an inactive (E45Q) variant of a beta-1,4-mannanase, SsGH134, in complex with Man5
Descriptor: CHLORIDE ION, GLYCEROL, alpha-D-mannopyranose, ...
Authors:Jin, Y, Petricevic, M, Goddard-Borger, E.D, Williams, S.J, Davies, G.J.
Deposit date:2016-05-10
Release date:2016-11-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
ACS Cent Sci, 2, 2016
3ZZP
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BU of 3zzp by Molmil
Circular permutant of ribosomal protein S6, lacking edge strand beta- 2 of wild-type S6.
Descriptor: RIBOSOMAL PROTEIN S6
Authors:Saraboji, K, Haglund, E, Lindberg, M.O, Oliveberg, M, Logan, D.T.
Deposit date:2011-09-02
Release date:2011-11-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Trimming Down a Protein Structure to its Bare Foldons: Spatial Organization of the Cooperative Unit.
J.Biol.Chem., 287, 2012
1UFY
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BU of 1ufy by Molmil
Crystal analysis of chorismate mutase from thermus thermophilus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Chorismate mutase, ...
Authors:Inagaki, E, Miyano, M, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-06-11
Release date:2003-07-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:The Crystal Structure of Chorismate Mutase from Thermus Thermophilus
To be Published
7X4J
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BU of 7x4j by Molmil
The 0.96 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with arachidic acid
Descriptor: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
Authors:Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
Deposit date:2022-03-02
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:The 0.96 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with arachidic acid
To Be Published
5ZJ1
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BU of 5zj1 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative CYT-14
Descriptor: 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-18
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
5ZJ8
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BU of 5zj8 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative CY32
Descriptor: (2S)-2,3-disulfanylpropan-1-ol, 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-19
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
3AGN
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BU of 3agn by Molmil
Crystal Structure of Ustilago sphaerogena Ribonuclease U2 Complexed with adenosine 3'-monophosphate
Descriptor: CALCIUM ION, Ribonuclease U2, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Authors:Noguchi, S.
Deposit date:2010-04-03
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Isomerization mechanism of aspartate to isoaspartate implied by structures of Ustilago sphaerogena ribonuclease U2 complexed with adenosine 3'-monophosphate
Acta Crystallogr.,Sect.D, 66, 2010
3DW5
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BU of 3dw5 by Molmil
Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23S rRNA, U2656-OCH3 modified
Descriptor: Sarcin/Ricin Domain from E. Coli 23 S rRNA
Authors:Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-07-21
Release date:2009-03-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
1LUQ
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BU of 1luq by Molmil
Full Matrix Error Analysis of Streptavidin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BIOTIN, GLYCEROL, ...
Authors:Merritt, E.A, Le Trong, I.
Deposit date:2002-05-23
Release date:2003-09-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Full Matrix Error Analysis of Streptavidin
To be Published
4F18
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BU of 4f18 by Molmil
Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with arsenate at pH 8.5
Descriptor: Putative alkaline phosphatase, hydrogen arsenate
Authors:Elias, M, Wellner, A, Goldin, K, Chabriere, E, Tawfik, D.S.
Deposit date:2012-05-06
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
2E4T
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BU of 2e4t by Molmil
Crystal structure of Cel44A, GH family 44 endoglucanase from Clostridium thermocellum
Descriptor: CALCIUM ION, CHLORIDE ION, Endoglucanase, ...
Authors:Kitago, Y, Karita, S, Watanabe, N, Sakka, K, Tanaka, I.
Deposit date:2006-12-16
Release date:2007-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of Cel44A, a glycoside hydrolase family 44 endoglucanase from Clostridium thermocellum.
J.Biol.Chem., 282, 2007
3U89
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BU of 3u89 by Molmil
Crystal structure of one turn of g/c rich b-dna revisited
Descriptor: 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G) -3', MAGNESIUM ION
Authors:Maehigashi, T, Woods, K.K, Moulaei, T, Komeda, S, Williams, L.D.
Deposit date:2011-10-16
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:B-DNA structure is intrinsically polymorphic: even at the level of base pair positions.
Nucleic Acids Res., 40, 2012
5R2O
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BU of 5r2o by Molmil
PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 12, DMSO-Free
Descriptor: Endothiapepsin
Authors:Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
Deposit date:2020-02-13
Release date:2020-06-03
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (0.969 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
6RFH
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BU of 6rfh by Molmil
Human Carbonic Anhydrase II in complex with 4-Carboxybenzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-sulfamoylbenzoic acid, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-04-15
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.969 Å)
Cite:Human Carbonic Anhydrase II in complex with 4-Carboxybenzenesulfonamide
To Be Published
4M9V
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BU of 4m9v by Molmil
Zfp57 mutant (E182Q) in complex with 5-carboxylcytosine DNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Liu, Y, Olanrewaju, Y.O, Zhang, X, Cheng, X.
Deposit date:2013-08-15
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.969 Å)
Cite:DNA recognition of 5-carboxylcytosine by a zfp57 mutant at an atomic resolution of 0.97 angstrom.
Biochemistry, 52, 2013
5R2Z
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BU of 5r2z by Molmil
PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 23, DMSO-Free
Descriptor: Endothiapepsin
Authors:Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
Deposit date:2020-02-13
Release date:2020-06-03
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (0.969 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
8GEW
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BU of 8gew by Molmil
H-FABP crystal soaked in a bromo palmitic acid solution
Descriptor: 2-Bromopalmitic acid, Fatty acid-binding protein, heart, ...
Authors:Howard, E, Cousido-Siah, A, Alvarez, A, Espinosa, Y, Podjarny, A, Mitschler, A, Carlevaro, M.
Deposit date:2023-03-07
Release date:2023-08-30
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation.
Proteins, 91, 2023
6HMQ
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BU of 6hmq by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ...
Authors:Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
8PGP
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BU of 8pgp by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3193
Descriptor: 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 3193
To Be Published
7FYV
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BU of 7fyv by Molmil
Crystal Structure of human FABP4 in complex with 5-(4-chlorophenyl)-9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene-8-carboxylic acid
Descriptor: (3aR,4R,5R,6S,7R,7aR)-3-(4-chlorophenyl)-6-methyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-5-carboxylic acid, 1,2-ETHANEDIOL, Fatty acid-binding protein, ...
Authors:Ehler, A, Benz, J, Obst, U, Wickens, J, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal Structure of a human FABP4 complex
To be published
1M1Q
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BU of 1m1q by Molmil
P222 oxidized structure of the tetraheme cytochrome c from Shewanella oneidensis MR1
Descriptor: HEME C, SULFATE ION, small tetraheme cytochrome c
Authors:Leys, D, Meyer, T.E, Tsapin, A.I, Nealson, K.H, Cusanovich, M.A, Van Beeumen, J.J.
Deposit date:2002-06-20
Release date:2002-08-14
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal structures at atomic resolution reveal the novel concept of 'electron-harvesting' as a role for the small tetraheme cytochrome c
J.Biol.Chem., 277, 2002
8B5M
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BU of 8b5m by Molmil
Crystal structure of GH47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with cyclosulfamidate inhibitor
Descriptor: (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, CALCIUM ION, Mannosyl-oligosaccharide 1,2-alpha-mannosidase, ...
Authors:Males, A, Davies, G.J.
Deposit date:2022-09-23
Release date:2023-10-04
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:GH47 and Cyclosulfamidate
To Be Published
3EO6
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BU of 3eo6 by Molmil
Crystal structure of protein of unknown function (DUF1255) (AFE_2634) from ACIDITHIOBACILLUS FERROOXIDANS NCIB8455 at 0.97 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, protein of unknown function (DUF1255)
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-09-26
Release date:2008-10-07
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal structure of protein of unknown function (DUF1255) (AFE_2634) from ACIDITHIOBACILLUS FERROOXIDANS NCIB8455 at 0.97 A resolution
To be published

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