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4LZF
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BU of 4lzf by Molmil
A novel domain in the microcephaly protein CPAP suggests a role in centriole architecture
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Centrosomal P4.1-associated protein, SCL-interrupting locus protein homolog, ...
Authors:Hatzopoulos, G.N, Erat, M.C, Cutts, E, Rogala, K, Slatter, L, Stansfeld, P.J, Vakonakis, I.
Deposit date:2013-07-31
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural analysis of the G-box domain of the microcephaly protein CPAP suggests a role in centriole architecture.
Structure, 21, 2013
1NF4
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BU of 1nf4 by Molmil
X-Ray Structure of the Desulfovibrio desulfuricans bacterioferritin: the diiron site in different states (reduced structure)
Descriptor: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, FE (II) ION, SULFATE ION, ...
Authors:Macedo, S, Romao, C.V, Mitchell, E, Matias, P.M, Liu, M.Y, Xavier, A.V, LeGall, J, Teixeira, M, Lindley, P, Carrondo, M.A.
Deposit date:2002-12-13
Release date:2003-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The nature of the di-iron site in the bacterioferritin from Desulfovibrio desulfuricans
NAT.STRUCT.BIOL., 10, 2003
4NHP
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BU of 4nhp by Molmil
X-ray structure of the complex between the hen egg white lysozyme and pentachlorocarbonyliridate (III) (4 days)
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
Deposit date:2013-11-05
Release date:2014-09-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
4NHT
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BU of 4nht by Molmil
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (6 days)
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
Deposit date:2013-11-05
Release date:2014-09-17
Last modified:2015-06-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
4QJ3
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BU of 4qj3 by Molmil
Structure of a fragment of human phospholipase C-beta3 delta472-559, in complex with Galphaq
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Lyon, A.M, Tesmer, J.J.G.
Deposit date:2014-06-03
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular mechanisms of phospholipase C beta 3 autoinhibition.
Structure, 22, 2014
4NMC
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BU of 4nmc by Molmil
Crystal structure of oxidized proline utilization A (PutA) from Geobacter sulfurreducens PCA complexed with Zwittergent 3-12
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE, ...
Authors:Singh, H, Tanner, J.J.
Deposit date:2013-11-14
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site.
Proc.Natl.Acad.Sci.USA, 111, 2014
3RFU
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BU of 3rfu by Molmil
Crystal structure of a copper-transporting PIB-type ATPase
Descriptor: Copper efflux ATPase, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Gourdon, P, Liu, X, Skjorringe, T, Morth, J.P, Birk Moller, L, Panyella Pedersen, B, Nissen, P.
Deposit date:2011-04-07
Release date:2011-06-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a copper-transporting PIB-type ATPase.
Nature, 475, 2011
3TKA
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BU of 3tka by Molmil
crystal structure and solution saxs of methyltransferase rsmh from E.coli
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, Ribosomal RNA small subunit methyltransferase H, S-ADENOSYLMETHIONINE, ...
Authors:Gao, Z.Q, Wei, Y, Zhang, H, Dong, Y.H.
Deposit date:2011-08-25
Release date:2012-05-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal and solution structures of methyltransferase RsmH provide basis for methylation of C1402 in 16S rRNA.
J.Struct.Biol., 179, 2012
4NHS
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BU of 4nhs by Molmil
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (9 days)
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
Deposit date:2013-11-05
Release date:2014-09-17
Last modified:2015-06-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
4NIJ
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BU of 4nij by Molmil
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (30 days)
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
Deposit date:2013-11-06
Release date:2014-09-17
Last modified:2015-06-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
7XKJ
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BU of 7xkj by Molmil
Kras-G12D-GDP-MRTX1133 by FIB-MicroED
Descriptor: 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, KRAS proto-oncogene, ...
Authors:Li, X.M.
Deposit date:2022-04-19
Release date:2023-08-02
Last modified:2023-08-16
Method:ELECTRON CRYSTALLOGRAPHY (3 Å)
Cite:Kras-G12D-GDP-MRTX1133 by FIB-MicroED
To Be Published
3TZZ
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BU of 3tzz by Molmil
Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in the carboxypalmitoylated form at 2.5 A
Descriptor: 12-mer peptide, 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, ...
Authors:Bergeret, F, Pedelacq, J.D, Mourey, L, Bon, C.
Deposit date:2011-09-28
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase pks13
J.Biol.Chem., 287, 2012
4MVJ
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BU of 4mvj by Molmil
2.85 Angstrom Resolution Crystal Structure of Glyceraldehyde 3-phosphate Dehydrogenase A (gapA) from Escherichia coli Modified by Acetyl Phosphate.
Descriptor: ACETATE ION, ACETYLPHOSPHATE, CHLORIDE ION, ...
Authors:Minasov, G, Kuhn, M, Dubrovska, I, Winsor, J, Shuvalova, L, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-24
Release date:2014-04-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation.
Plos One, 9, 2014
4N6J
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BU of 4n6j by Molmil
Crystal structure of human Striatin-3 coiled coil domain
Descriptor: Striatin-3
Authors:Chen, C, Shi, Z, Zhou, Z.
Deposit date:2013-10-13
Release date:2014-02-26
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Striatins contain a noncanonical coiled coil that binds protein phosphatase 2A A subunit to form a 2:2 heterotetrameric core of striatin-interacting phosphatase and kinase (STRIPAK) complex.
J.Biol.Chem., 289, 2014
5VU3
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BU of 5vu3 by Molmil
Crystal structure of the competence-damaged protein (CinA) superfamily protein ECL_02051 from Enterobacter cloacae
Descriptor: ACETATE ION, Competence damage-inducible protein A, TETRAETHYLENE GLYCOL
Authors:Stogios, P.J, Skarina, T, McChesney, C, Sandoval, J, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-05-18
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:Crystal structure of the competence-damaged protein (CinA) superfamily protein ECL_02051 from Enterobacter cloacae
To Be Published
4N4D
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BU of 4n4d by Molmil
Structure of ThiT with AV-38 bound
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ...
Authors:Swier, L.J.Y.M, Guskov, A, Slotboom, D.J.
Deposit date:2013-10-08
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural studies on the thiamine binding protein ThiT
To be Published
4N4W
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BU of 4n4w by Molmil
Structure of the human smoothened receptor in complex with SANT-1.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine, Cytochrome b(562),Smoothened homolog, ...
Authors:Wang, C, Wu, H, Han, G.W, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2013-10-08
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4N7I
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BU of 4n7i by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN3A1
Descriptor: BETA-MERCAPTOETHANOL, Butyrophilin subfamily 3 member A1, CHLORIDE ION, ...
Authors:Sandstrom, A, Adams, E.J.
Deposit date:2013-10-15
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4015 Å)
Cite:The Intracellular B30.2 Domain of Butyrophilin 3A1 Binds Phosphoantigens to Mediate Activation of Human V gamma 9V delta 2 T Cells.
Immunity, 40, 2014
1TFQ
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BU of 1tfq by Molmil
NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP
Descriptor: Baculoviral IAP repeat-containing protein 4, N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE, ZINC ION
Authors:Oost, T.K, Sun, C, Armstrong, R.C, Al-Assaad, A.S, Betz, S.F, Deckwerth, T.L, Elmore, S.W, Meadows, R.P, Olejniczak, E.T, Oleksijew, A, Oltersdorf, T, Rosenberg, S.H, Shoemaker, A.R, Zou, H, Fesik, S.W.
Deposit date:2004-05-27
Release date:2004-09-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Discovery of Potent Antagonists of the Antiapoptotic Protein XIAP for the Treatment of Cancer.
J.Med.Chem., 47, 2004
2I21
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BU of 2i21 by Molmil
Bacteriorhodopsin/lipid complex, T46V mutant
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ...
Authors:Lanyi, J.K, Schobert, B.
Deposit date:2006-08-15
Release date:2006-10-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Propagating Structural Perturbation Inside Bacteriorhodopsin: Crystal Structures of the M State and the D96A and T46V Mutants.
Biochemistry, 45, 2006
4QMO
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BU of 4qmo by Molmil
MST3 IN COMPLEX WITH Imidazolo-oxindole PKR inhibitor C16
Descriptor: (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2014-06-16
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
1IYK
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BU of 1iyk by Molmil
Crystal structure of candida albicans N-myristoyltransferase with myristoyl-COA and peptidic inhibitor
Descriptor: MYRISTOYL-COA:PROTEIN N-MYRISTOYLTRANSFERASE, TETRADECANOYL-COA, [CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE
Authors:Sogabe, S, Fukami, T.A, Morikami, K, Shiratori, Y, Aoki, Y, D'Arcy, A, Winkler, F.K, Banner, D.W, Ohtsuka, T.
Deposit date:2002-08-29
Release date:2002-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
1Z2B
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BU of 1z2b by Molmil
Tubulin-colchicine-vinblastine: stathmin-like domain complex
Descriptor: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Gigant, B, Wang, C, Ravelli, R.B.G, Roussi, F, Steinmetz, M.O, Curmi, P.A, Sobel, A, Knossow, M.
Deposit date:2005-03-08
Release date:2005-05-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structural basis for the regulation of tubulin by vinblastine.
Nature, 435, 2005
4RTF
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BU of 4rtf by Molmil
Crystal structure of molecular chaperone DnaK from Mycobacterium tuberculosis H37Rv
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, TETRAETHYLENE GLYCOL
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Endres, M, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2014-11-14
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Crystal structure of molecular chaperone DnaK from Mycobacterium tuberculosis H37Rv
To be Published
1NPV
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BU of 1npv by Molmil
Crystal structure of HIV-1 protease complexed with LDC271
Descriptor: POL polyprotein, {1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2- HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Smith, A.B.
Deposit date:2003-01-20
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors.
J.Med.Chem., 46, 2003

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