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6YX7
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BU of 6yx7 by Molmil
The high resolution structure of allophycocyanin from cyanobacterium Nostoc sp. WR13, the P21212 crystal form.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
Authors:Patel, H.M, Roszak, A.W, Madamwar, D, Cogdell, R.J.
Deposit date:2020-04-30
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:The high resolution structure of allophycocyanin from cyanobacterium Nostoc sp. WR13
To Be Published
7OVL
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BU of 7ovl by Molmil
Protein kinase MKK7 in complex with methoxycyclohexyl-substituted indazole
Descriptor: 3-(2~{H}-indazol-3-yl)-~{N}-[[1-[(1~{R},2~{R})-2-methoxycyclohexyl]-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide, Dual specificity mitogen-activated protein kinase kinase 7
Authors:Buehrmann, M, Wiese, J.N, Mueller, M.P, Rauh, D.
Deposit date:2021-06-15
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries.
J.Med.Chem., 65, 2022
7OYD
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BU of 7oyd by Molmil
Cryo-EM structure of a rabbit 80S ribosome with zebrafish Dap1b
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A.
Deposit date:2021-06-24
Release date:2022-07-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:A molecular network of conserved factors keeps ribosomes dormant in the egg.
Nature, 613, 2023
7OVI
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BU of 7ovi by Molmil
Protein kinase MKK7 in complex with phenethyltriazole-substituted pyrazolopyrimidine
Descriptor: 1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7
Authors:Kleinboelting, S, Buehrmann, M, Mueller, M.P, Rauh, D.
Deposit date:2021-06-15
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries.
J.Med.Chem., 65, 2022
8B2V
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BU of 8b2v by Molmil
Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A Ampicillin, 1 sec
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-14
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8BJU
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BU of 8bju by Molmil
HUMAN WEE1 KINASE IN COMPLEX WITH INHIBITOR 1-[6-(1-Hydroxy-1-methyl-ethyl)-pyridin-2-yl]-2-(2-methoxy-phenyl)-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
Descriptor: 2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase
Authors:Musil, D, Lan, R.
Deposit date:2022-11-06
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
1T4P
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BU of 1t4p by Molmil
Arginase-dehydro-ABH complex
Descriptor: Arginase 1, MANGANESE (II) ION, [(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENYL](TRIHYDROXY)BORATE(1-)
Authors:Cama, E, Pethe, S, Boucher, J.-L, Han, S, Emig, F.A, Ash, D.E, Viola, R.E, Mansuy, D, Christianson, D.W.
Deposit date:2004-04-30
Release date:2005-04-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibitor coordination interactions in the binuclear manganese cluster of arginase
Biochemistry, 43, 2004
8BCY
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BU of 8bcy by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13
Descriptor: 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Pala, D, Mazzucato, R, Capelli, A.M, Rancati, F, Biagetti, M.
Deposit date:2022-10-17
Release date:2023-05-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Application of an "inhalation by design" approach to the identification and in-vitro evaluation of novel purine based PI3K delta inhibitors.
Eur.J.Med.Chem., 254, 2023
1XLZ
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BU of 1xlz by Molmil
Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Filaminast
Descriptor: (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBONYL)OXIME, MAGNESIUM ION, ZINC ION, ...
Authors:Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
Deposit date:2004-09-30
Release date:2004-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
7OZS
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BU of 7ozs by Molmil
Structure of the hexameric 5S RNP from C. thermophilum
Descriptor: 5S rRNA, 60S ribosomal protein l5-like protein, Putative ribosomal protein, ...
Authors:Castillo, N, Thoms, M, Flemming, D, Hammaren, H.M, Buschauer, R, Ameismeier, M, Bassler, J, Beck, M, Beckmann, R, Hurt, E.
Deposit date:2021-06-28
Release date:2022-10-12
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of nascent 5S RNPs at the crossroad between ribosome assembly and MDM2-p53 pathways.
Nat.Struct.Mol.Biol., 2023
7OYC
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BU of 7oyc by Molmil
Cryo-EM structure of the Xenopus egg 80S ribosome
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A.
Deposit date:2021-06-24
Release date:2022-07-20
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:A molecular network of conserved factors keeps ribosomes dormant in the egg.
Nature, 613, 2023
3FPV
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BU of 3fpv by Molmil
Crystal Structure of HbpS
Descriptor: Extracellular haem-binding protein, FE (III) ION
Authors:Ortiz de Orue Lucana, D, Bogel, G, Zou, P, Groves, M.R.
Deposit date:2009-01-06
Release date:2009-01-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The oligomeric assembly of the novel haem-degrading protein HbpS is essential for interaction with its cognate two-component sensor kinase
J.Mol.Biol., 386, 2009
8BLQ
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BU of 8blq by Molmil
Cryo-EM structure of the CODV-IL13-RefAb triple complex
Descriptor: CODV-Fab, heavy chain, light chain, ...
Authors:Fernandez-Martinez, D, Kandiah, E.
Deposit date:2022-11-10
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structural insights into the bi-specific cross-over dual variable antibody architecture by cryo-EM.
Sci Rep, 13, 2023
1TD0
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BU of 1td0 by Molmil
Viral capsid protein SHP at pH 5.5
Descriptor: Head decoration protein
Authors:Chang, C, Forrer, P, Ott, D, Wlodawer, A, Plueckthun, A.
Deposit date:2004-05-21
Release date:2004-11-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Kinetic Stability and Crystal Structure of the Viral Capsid Protein SHP
J.Mol.Biol., 344, 2004
1GZP
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BU of 1gzp by Molmil
CD1b in complex with GM2 ganglioside
Descriptor: B2-MICROGLOBULIN, DOCOSANE, DODECANE, ...
Authors:Gadola, S.D, Zaccai, N.R, Harlos, K, Shepherd, D, Ritter, G, Schmidt, R.R, Jones, E.Y, Cerundolo, V.
Deposit date:2002-05-24
Release date:2002-07-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human CD1b with bound ligands at 2.3 A, a maze for alkyl chains.
Nat. Immunol., 3, 2002
7OK3
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BU of 7ok3 by Molmil
Crystal Structure of KRasG13C in Complex with Nucleotide-based Covalent Inhibitor edaGDP
Descriptor: Isoform 2B of GTPase KRas, edaGDP
Authors:Goebel, L, Mueller, M.P, Rauh, D.
Deposit date:2021-05-17
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Targeting oncogenic KRasG13C with nucleotide-based covalent inhibitors.
Elife, 12, 2023
7OK4
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BU of 7ok4 by Molmil
Crystal Structure of KRasG13C in Complex with Nucleotide-based covalent Inhibitor bdaGDP
Descriptor: Isoform 2B of GTPase KRas, bdaGDP
Authors:Goebel, L, Mueller, M.P, Rauh, D.
Deposit date:2021-05-17
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting oncogenic KRasG13C with nucleotide-based covalent inhibitors.
Elife, 12, 2023
4E0N
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BU of 4e0n by Molmil
SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form II)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION
Authors:Zhao, M, Liu, C, Michael, S.R, Eisenberg, D.
Deposit date:2012-03-04
Release date:2012-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
8BGU
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BU of 8bgu by Molmil
human MDM2-5S RNP
Descriptor: 5S rRNA, 60S ribosomal protein L11, 60S ribosomal protein L5, ...
Authors:Castillo, N, Thoms, M, Flemming, D, Hammaren, H.M, Buschauer, R, Ameismeier, M, Bassler, J, Beck, M, Beckmann, R, Hurt, E.
Deposit date:2022-10-28
Release date:2023-06-14
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of nascent 5S RNPs at the crossroad between ribosome assembly and MDM2-p53 pathways.
Nat.Struct.Mol.Biol., 30, 2023
1ZRY
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BU of 1zry by Molmil
NMR structural analysis of apo chicken liver bile acid binding protein
Descriptor: Fatty acid-binding protein, liver
Authors:Ragona, L, Catalano, M, Luppi, M, Cicero, D, Eliseo, T, Foote, J, Fogolari, F, Zetta, L, Molinari, H.
Deposit date:2005-05-23
Release date:2006-01-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR Dynamic Studies Suggest that Allosteric Activation Regulates Ligand Binding in Chicken Liver Bile Acid-binding Protein
J.Biol.Chem., 281, 2006
1THK
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BU of 1thk by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase II, ZINC ION
Authors:Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
Deposit date:2004-06-01
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
1SYV
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BU of 1syv by Molmil
HLA-B*4405 complexed to the dominant self ligand EEFGRAYGF
Descriptor: Beta-2-microglobulin, MHC class I antigen, major histocompatibility complex, ...
Authors:Zernich, D, Purcell, A.W, Macdonald, W.A, Kjer-Nielsen, L, Ely, L.K, Laham, N, Crockford, T, Mifsud, N.A, Tait, B.D, Holdsworth, R, Brooks, A.G, Bottomley, S.P, Beddoe, T, Peh, C.A, Rossjohn, J, McCluskey, J.
Deposit date:2004-04-02
Release date:2004-10-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Natural HLA class I polymorphism controls the pathway of antigen presentation and susceptibility to viral evasion
J.Exp.Med., 200, 2004
1GNU
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BU of 1gnu by Molmil
GABA(A) receptor associated protein GABARAP
Descriptor: GABARAP, NICKEL (II) ION
Authors:Knight, D, Harris, R, Moss, S, Driscoll, P.C, Keep, N.H.
Deposit date:2001-10-09
Release date:2001-12-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The X-Ray Crystal Structure and Putative Ligand-Derived Peptide Binding Properties of Gamma-Aminobutyric Acid Receptor Type a Receptor-Associated Protein
J.Biol.Chem., 277, 2002
1ZS4
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BU of 1zs4 by Molmil
Structure of bacteriophage lambda cII protein in complex with DNA
Descriptor: DNA - 27mer, Regulatory protein CII
Authors:Jain, D, Kim, Y, Maxwell, K.L, Beasley, S, Gussin, G.N, Edwards, A.M, Darst, S.A.
Deposit date:2005-05-23
Release date:2005-08-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Bacteriophage lambdacII and Its DNA Complex.
Mol.Cell, 19, 2005
1ZT4
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BU of 1zt4 by Molmil
The crystal structure of human CD1d with and without alpha-Galactosylceramide
Descriptor: Beta-2-microglobulin, N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE, T-cell surface glycoprotein CD1d
Authors:Koch, M, Stronge, V.S, Shepherd, D, Gadola, S.D, Mathew, B, Ritter, G, Fersht, A.R, Besra, G.S, Schmidt, R.R, Jones, E.Y, Cerundolo, V, Structural Proteomics in Europe (SPINE)
Deposit date:2005-05-26
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of human CD1d with and without alpha-galactosylceramide
Nat.Immunol., 6, 2005

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