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1L4U
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BU of 1l4u by Molmil
CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AND PT(II) AT 1.8 ANGSTROM RESOLUTION
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Gu, Y, Reshetnikova, L, Li, Y, Wu, Y, Yan, H, Singh, S, Ji, X.
Deposit date:2002-03-05
Release date:2002-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis.
J.Mol.Biol., 319, 2002
5U0S
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BU of 5u0s by Molmil
Cryo-EM structure of the Mediator-RNAPII complex
Descriptor: Mediator complex subunit 10, Mediator complex subunit 11, Mediator complex subunit 14, ...
Authors:Tsai, K.-L, Yu, X, Gopalan, S, Chao, T.-C, Zhang, Y, Florens, L, Washburn, M.P, Murakami, K, Conaway, R.C, Conaway, J.W, Asturias, F.
Deposit date:2016-11-26
Release date:2017-03-08
Last modified:2020-01-01
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Mediator structure and rearrangements required for holoenzyme formation.
Nature, 544, 2017
6FWO
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BU of 6fwo by Molmil
Structure of an E336Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-1,2-anhydro-mannose hydrolyzed by enzyme
Descriptor: (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2018-03-06
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
1QGX
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BU of 1qgx by Molmil
X-RAY STRUCTURE OF YEAST HAL2P
Descriptor: 3',5'-ADENOSINE BISPHOSPHATASE, ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, ...
Authors:Albert, A, Yenush, L, Gil-Mascarell, M.R, Rodriguez, P.L, Patel, J, Martinez-Ripoll, M, Blundell, T.L, Serrano, R.
Deposit date:1999-05-10
Release date:2000-01-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray structure of yeast Hal2p, a major target of lithium and sodium toxicity, and identification of framework interactions determining cation sensitivity.
J.Mol.Biol., 295, 2000
7R94
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BU of 7r94 by Molmil
T-Plastin-F-actin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Mei, L, Alushin, G.M.
Deposit date:2021-06-28
Release date:2022-07-06
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural mechanism for bidirectional actin cross-linking by T-plastin.
Proc.Natl.Acad.Sci.USA, 119, 2022
6G16
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BU of 6g16 by Molmil
Structure of the human RBBP4:MTA1(464-546) complex showing loop exchange
Descriptor: Histone-binding protein RBBP4, Metastasis-associated protein MTA1
Authors:Millard, C.J, Varma, N, Fairall, L, Schwabe, J.W.R.
Deposit date:2018-03-20
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of the core NuRD repression complex provides insights into its interaction with chromatin.
Elife, 5, 2016
1QNB
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BU of 1qnb by Molmil
Crystal structure of the T(-25) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution.
Descriptor: DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*TP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*AP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TRANSCRIPTION INITIATION FACTOR TFIID-1
Authors:Patikoglou, G.A, Kim, J.L, Sun, L, Yang, S.-H, Kodadek, T, Burley, S.K.
Deposit date:1999-10-14
Release date:2000-02-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution
Genes Dev., 13, 1999
1LF7
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BU of 1lf7 by Molmil
Crystal Structure of Human Complement Protein C8gamma at 1.2 A Resolution
Descriptor: CITRIC ACID, Complement Protein C8gamma
Authors:Ortlund, E, Parker, C.L, Schreck, S.F, Ginell, S, Minor, W, Sodetz, J.M, Lebioda, L.
Deposit date:2002-04-10
Release date:2002-06-12
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of human complement protein C8gamma at 1.2 A resolution reveals a lipocalin fold and a distinct ligand binding site.
Biochemistry, 41, 2002
5U9C
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BU of 5u9c by Molmil
1.9 Angstrom Resolution Crystal Structure of dTDP-4-dehydrorhamnose Reductase from Yersinia enterocolitica
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, CITRIC ACID, ...
Authors:Minasov, G, Shuvalova, L, Flores, K, Dubrovska, I, Olphie, A, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-12-15
Release date:2016-12-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9 Angstrom Resolution Crystal Structure of dTDP-4-dehydrorhamnose Reductase from Yersinia enterocolitica.
To Be Published
1QN8
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BU of 1qn8 by Molmil
Crystal structure of the T(-28) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution.
Descriptor: DNA (5'-D(*GP*CP*TP*AP*TP*TP*AP*AP*AP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*TP*TP*TP*AP*AP*TP*AP*GP*C)-3'), TRANSCRIPTION INITIATION FACTOR TFIID-1
Authors:Patikoglou, G.A, Kim, J.L, Sun, L, Yang, S.-H, Kodadek, T, Burley, S.K.
Deposit date:1999-10-14
Release date:2000-02-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution
Genes Dev., 13, 1999
1K3E
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BU of 1k3e by Molmil
Type III secretion chaperone CesT
Descriptor: CesT
Authors:Luo, Y, Bertero, M, Frey, E.A, Pfuetzner, R.A, Wenk, M.R, Creagh, L, Marcus, S.L, Lim, D, Finlay, B.B, Strynadka, N.C.J.
Deposit date:2001-10-02
Release date:2001-11-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and biochemical characterization of the type III secretion chaperones CesT and SigE.
Nat.Struct.Biol., 8, 2001
1O6X
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BU of 1o6x by Molmil
NMR solution structure of the activation domain of human procarboxypeptidase A2
Descriptor: PROCARBOXYPEPTIDASE A2
Authors:Jimenez, M.A, Villegas, V, Santoro, J, Serrano, L, Vendrell, J, Aviles, F.X, Rico, M.
Deposit date:2002-10-17
Release date:2003-01-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Solution Structure of the Activation Domain of Human Procarboxypeptidase A2
Protein Sci., 12, 2003
6GEU
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BU of 6geu by Molmil
Crystal structure of the C230A mutant of human IBA57
Descriptor: Putative transferase CAF17, mitochondrial
Authors:Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L, Nasta, V.
Deposit date:2018-04-27
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:IBA57 Recruits ISCA2 to Form a [2Fe-2S] Cluster-Mediated Complex.
J.Am.Chem.Soc., 140, 2018
5UVL
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BU of 5uvl by Molmil
Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
1OD4
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BU of 1od4 by Molmil
Acetyl-CoA Carboxylase Carboxyltransferase Domain
Descriptor: ACETYL-COENZYME A CARBOXYLASE, ADENINE
Authors:Zhang, H, Yang, Z, Shen, Y, Tong, L.
Deposit date:2003-02-12
Release date:2003-04-03
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase.
Science, 299, 2003
5UP5
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BU of 5up5 by Molmil
Solution structure of the de novo mini protein EHEE_rd1_0284
Descriptor: EHEE_rd1_0284
Authors:Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H.
Deposit date:2017-02-01
Release date:2017-07-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
1K43
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BU of 1k43 by Molmil
10 Structure Ensemble of the 14-residue peptide RG-KWTY-NG-ITYE-GR (MBH12)
Descriptor: MBH12
Authors:Pastor, M.T, Lopez de la Paz, M, Lacroix, E, Serrano, L, Perez-Paya, E.
Deposit date:2001-10-05
Release date:2001-10-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Combinatorial approaches: a new tool to search for highly structured beta-hairpin peptides.
Proc.Natl.Acad.Sci.USA, 99, 2002
1K3C
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BU of 1k3c by Molmil
Phosphoenolpyruvate carboxykinase in complex with ADP, AlF3 and Pyruvate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Sudom, A.M, Prasad, L, Goldie, H, Delbaere, L.T.J.
Deposit date:2001-10-02
Release date:2001-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The phosphoryl-transfer mechanism of Escherichia coli phosphoenolpyruvate carboxykinase from the use of AlF(3).
J.Mol.Biol., 314, 2001
1OB7
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BU of 1ob7 by Molmil
Cephaibol C
Descriptor: CEPHAIBOL C, ETHANOL, SODIUM ION
Authors:Bunkoczi, G, Schiell, M, Vertesy, L, Sheldrick, G.M.
Deposit date:2003-01-24
Release date:2003-12-11
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Crystal Structures of Cephaibols
J.Pept.Sci., 9, 2003
5USJ
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BU of 5usj by Molmil
Crystal Structure of human KRAS G12D mutant in complex with GDPNP
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L.
Deposit date:2017-02-13
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
7RSW
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BU of 7rsw by Molmil
Crystal structure of group B human rotavirus VP8*
Descriptor: Outer capsid protein VP4, peptide
Authors:Hu, L, Salmen, W, Sankaran, B, Prasad, B.V.
Deposit date:2021-08-11
Release date:2022-07-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Novel fold of rotavirus glycan-binding domain predicted by AlphaFold2 and determined by X-ray crystallography.
Commun Biol, 5, 2022
4DHS
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BU of 4dhs by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
Descriptor: (2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ...
Authors:Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C.
Deposit date:2012-01-30
Release date:2013-07-31
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
7R0T
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BU of 7r0t by Molmil
Crystal structure of exonuclease ExnV1
Descriptor: CHLORIDE ION, Exonuclease ExnV1, MAGNESIUM ION, ...
Authors:Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Jasilionis, A, Linares-Pasten, J.A, Wang, L, Nordberg Karlsson, E, Ahlqvist, J.
Deposit date:2022-02-02
Release date:2022-11-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Crystal structure of DNA polymerase I from Thermus phage G20c.
Acta Crystallogr D Struct Biol, 78, 2022
5T75
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BU of 5t75 by Molmil
Human carbonic anhydrase II G132C_C206S double mutant in complex with SA-2
Descriptor: 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J.
Deposit date:2016-09-02
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity.
ACS Chem. Biol., 13, 2018
1K3S
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BU of 1k3s by Molmil
Type III Secretion Chaperone SigE
Descriptor: PHOSPHATE ION, SigE
Authors:Bertero, M.G, Luo, Y, Frey, E.A, Pfuetzner, R.A, Wenk, M.R, Creagh, L, Marcus, S.L, Lim, D, Finlay, B.B, Strynadka, N.C.J.
Deposit date:2001-10-03
Release date:2001-11-28
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biochemical characterization of the type III secretion chaperones CesT and SigE.
Nat.Struct.Biol., 8, 2001

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