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7ZFA
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BU of 7zfa by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-6 and COVOX-150 Fabs
Descriptor: COVOX-150 heavy chain, COVOX-150 light chain, Omi-6 heavy chain, ...
Authors:Zhou, D, Huo, J, Ren, J, Stuart, D.I.
Deposit date:2022-04-01
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.24 Å)
Cite:Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZJQ
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BU of 7zjq by Molmil
Human TEAD3 in complex with 1-Cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
Descriptor: 1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid, Transcriptional enhancer factor TEF-5
Authors:Musil, D, Sousa, C.M.
Deposit date:2022-04-11
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022
2C4G
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BU of 2c4g by Molmil
STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514
Descriptor: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
Authors:Cameron, A, Fogliatto, G, Pevarello, P, Fancelli, D, Vulpetti, A, Amici, R, Villa, M, Pittala, V, Ciomei, M, Mercurio, C, Bischoff, J.R, Roletto, F, Varasi, M, Brasca, M.G.
Deposit date:2005-10-19
Release date:2005-11-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:3-Amino-1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: A New Class of Cdk2 Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2BWN
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BU of 2bwn by Molmil
5-Aminolevulinate Synthase from Rhodobacter capsulatus
Descriptor: 5-AMINOLEVULINATE SYNTHASE, ACETIC ACID, CHLORIDE ION, ...
Authors:Astner, I, Schulze, J.O, van den Heuvel, J.J, Jahn, D, Schubert, W.-D, Heinz, D.W.
Deposit date:2005-07-15
Release date:2005-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of 5-Aminolevulinate Synthase, the First Enzyme of Heme Biosynthesis, and its Link to Xlsa in Humans.
Embo J., 24, 2005
4KKX
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BU of 4kkx by Molmil
Crystal structure of Tryptophan Synthase from Salmonella typhimurium with 2-aminophenol quinonoid in the beta site and the F6 inhibitor in the alpha site
Descriptor: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2013-05-06
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
2BGE
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BU of 2bge by Molmil
Structure-based design of Protein Tyrosine Phosphatase-1B Inhibitors
Descriptor: 1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE, PROTEIN-TYROSINE PHOSPHATASE NON-RECEPTOR TYPE 1
Authors:Black, E, Breed, J, Breeze, A.L, Embrey, K, Garcia, R, Gero, T.W, Godfrey, L, Kenny, P.W, Morley, A.D, Minshull, C.A, Pannifer, A.D, Read, J, Rees, A, Russell, D.J, Toader, D, Tucker, J.
Deposit date:2004-12-21
Release date:2005-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2BGD
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BU of 2bgd by Molmil
Structure-based design of Protein Tyrosine Phosphatase-1B Inhibitors
Descriptor: 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Black, E, Breed, J, Breeze, A.L, Embrey, K, Garcia, R, Gero, T.W, Godfrey, L, Kenny, P.W, Morley, A.D, Minshull, C.A, Pannifer, A.D, Read, J, Rees, A, Russell, D.J, Toader, D, Tucker, J.
Deposit date:2004-12-21
Release date:2005-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
4UED
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BU of 4ued by Molmil
Complex of human eIF4E with the 4E binding protein 4E-BP1
Descriptor: EUKARYOTIC TRANSLATION FACTOR 4E-BINDING PROTEIN 1, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E
Authors:Peter, D, Weichenrieder, O.
Deposit date:2014-12-16
Release date:2015-02-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular Architecture of 4E-BP Translational Inhibitors Bound to Eif4E.
Mol.Cell, 57, 2015
6QLE
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BU of 6qle by Molmil
Structure of inner kinetochore CCAN complex
Descriptor: Central kinetochore subunit CTF3,Inner kinetochore subunit CTF3,Central kinetochore subunit CTF3,Inner kinetochore subunit CTF3, Central kinetochore subunit MCM16,Central kinetochore subunit MCM16,Inner kinetochore subunit MCM16,Mcm16p, Inner kinetochore subunit AME1,Inner kinetochore subunit AME1,Inner kinetochore subunit AME1,Inner kinetochore subunit AME1, ...
Authors:Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D.
Deposit date:2019-01-31
Release date:2019-10-02
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome.
Nature, 574, 2019
2BYO
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BU of 2byo by Molmil
Crystal structure of Mycobacterium tuberculosis lipoprotein LppX (Rv2945c)
Descriptor: ACETATE ION, ALPHA-LINOLENIC ACID, D-MALATE, ...
Authors:Sulzenbacher, G, Canaan, S, Roig-Zamboni, V, Maurin, D, Gicquel, B, Bourne, Y.
Deposit date:2005-08-03
Release date:2006-03-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Lppx is a Lipoprotein Required for the Translocation of Phthiocerol Dimycocerosates to the Surface of Mycobacterium Tuberculosis.
Embo J., 25, 2006
2BL5
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BU of 2bl5 by Molmil
Solution structure of the KH-QUA2 region of the Xenopus STAR-GSG Quaking protein.
Descriptor: MGC83862 PROTEIN
Authors:Maguire, M.L, Guler-Gane, G, Nietlispach, D, Raine, A.R.C, Zorn, A.M, Standart, N, Broadhurst, R.W.
Deposit date:2005-03-01
Release date:2005-04-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure and Backbone Dynamics of the Kh-Qua2 Region of the Xenopus Star/Gsg Quaking Protein
J.Mol.Biol., 348, 2005
2BO5
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BU of 2bo5 by Molmil
Bovine oligomycin sensitivity conferral protein N-terminal domain
Descriptor: ATP SYNTHASE OLIGOMYCIN SENSITIVITY CONFERRAL PROTEIN
Authors:Carbajo, R.J, Kellas, F.A, Runswick, M.J, Montgomery, M.G, Walker, J.E, Neuhaus, D.
Deposit date:2005-04-07
Release date:2005-08-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the F1-binding domain of the stator of bovine F1Fo-ATPase and how it binds an alpha-subunit.
J. Mol. Biol., 351, 2005
6QLD
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BU of 6qld by Molmil
Structure of inner kinetochore CCAN-Cenp-A complex
Descriptor: DNA (125-MER), Histone H2A.1, Histone H2B.1, ...
Authors:Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D.
Deposit date:2019-01-31
Release date:2019-10-02
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.15 Å)
Cite:Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome.
Nature, 574, 2019
6QLF
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BU of 6qlf by Molmil
Structure of inner kinetochore CCAN complex with mask1
Descriptor: Inner kinetochore subunit AME1, Inner kinetochore subunit CHL4, Inner kinetochore subunit CTF19, ...
Authors:Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D.
Deposit date:2019-01-31
Release date:2019-10-02
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome.
Nature, 574, 2019
3CLT
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BU of 3clt by Molmil
Crystal structure of the R236E mutant of Methylophilus methylotrophus ETF
Descriptor: ADENOSINE MONOPHOSPHATE, Electron transfer flavoprotein subunit alpha, Electron transfer flavoprotein subunit beta, ...
Authors:Katona, G, Leys, D.
Deposit date:2008-03-20
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the dynamic interface between trimethylamine dehydrogenase (TMADH) and electron transferring flavoprotein (ETF) in the TMADH-2ETF complex: role of the Arg-alpha237 (ETF) and Tyr-442 (TMADH) residue pair.
Biochemistry, 47, 2008
4V02
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BU of 4v02 by Molmil
MinC:MinD cell division protein complex, Aquifex aeolicus
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROBABLE SEPTUM SITE-DETERMINING PROTEIN MINC, ...
Authors:Ghosal, D, Lowe, J.
Deposit date:2014-09-10
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mincd Cell Division Proteins Form Alternating Copolymeric Cytomotive Filaments.
Nat.Commun., 5, 2014
8RBO
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BU of 8rbo by Molmil
Cryo-EM structure of Pyrococcus furiosus apo form RNA polymerase contracted clamp conformation
Descriptor: DNA-directed RNA polymerase subunit Rpo10, DNA-directed RNA polymerase subunit Rpo11, DNA-directed RNA polymerase subunit Rpo12, ...
Authors:Tarau, D.M, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D.
Deposit date:2023-12-04
Release date:2024-04-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment.
Nucleic Acids Res., 52, 2024
4V0C
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BU of 4v0c by Molmil
Crystal Structure of the Kv7.1 proximal C-terminal Domain in Complex with Calmodulin
Descriptor: CALCIUM ION, CALMODULIN, POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY KQT MEMBER 1, ...
Authors:Sachyani, D, Hirsch, J.A.
Deposit date:2014-09-14
Release date:2014-11-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural Basis of a Kv7.1 Potassium Channel Gating Module: Studies of the Intracellular C-Terminal Domain in Complex with Calmodulin.
Structure, 22, 2014
8RKG
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BU of 8rkg by Molmil
Crystal structure of tetrameric collagenase-cleaved Xenopus ZP2-N2N3 (cleaved xZP2-N2N3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, ...
Authors:Nishio, S, de Sanctis, D, Jovine, L.
Deposit date:2023-12-25
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
3CLS
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BU of 3cls by Molmil
Crystal structure of the R236C mutant of ETF from Methylophilus methylotrophus
Descriptor: ADENOSINE MONOPHOSPHATE, Electron transfer flavoprotein subunit alpha, Electron transfer flavoprotein subunit beta, ...
Authors:Katona, G, Leys, D.
Deposit date:2008-03-20
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Probing the dynamic interface between trimethylamine dehydrogenase (TMADH) and electron transferring flavoprotein (ETF) in the TMADH-2ETF complex: role of the Arg-alpha237 (ETF) and Tyr-442 (TMADH) residue pair.
Biochemistry, 47, 2008
4UXZ
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BU of 4uxz by Molmil
Structure of delta7-DgkA-syn in 7.9 MAG to 2.18 angstrom resolution
Descriptor: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, ACETATE ION, ...
Authors:Li, D, Howe, N, Caffrey, M.
Deposit date:2014-08-27
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4WAE
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BU of 4wae by Molmil
Phosphatidylinositol 4-kinase III beta crystallized with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta
Authors:Chalupska, D, Boura, E.
Deposit date:2014-08-29
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.318 Å)
Cite:Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action.
J.Med.Chem., 58, 2015
8RPO
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BU of 8rpo by Molmil
BFL1 in complex with a reversible covalent ligand
Descriptor: (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1
Authors:Hargreaves, D.
Deposit date:2024-01-16
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen.
Acs Med.Chem.Lett., 15, 2024
4WAB
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BU of 4wab by Molmil
Crystal structure of mPGES1 solved by native-SAD phasing
Descriptor: 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase
Authors:Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M.
Deposit date:2014-08-29
Release date:2014-12-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WAG
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BU of 4wag by Molmil
Phosphatidylinositol 4-kinase III beta crystallized with MI103 inhibitor
Descriptor: 6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta
Authors:Chalupska, D, Boura, E.
Deposit date:2014-08-29
Release date:2015-05-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.407 Å)
Cite:Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action.
J.Med.Chem., 58, 2015

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