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1OG5
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BU of 1og5 by Molmil
Structure of human cytochrome P450 CYP2C9
Descriptor: CYTOCHROME P450 2C9, HEME C, S-WARFARIN
Authors:Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H.
Deposit date:2003-04-24
Release date:2003-07-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
5KHR
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BU of 5khr by Molmil
Model of human Anaphase-promoting complex/Cyclosome complex (APC15 deletion mutant) in complex with the E2 UBE2C/UBCH10 poised for ubiquitin ligation to substrate (APC/C-CDC20-substrate-UBE2C)
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:VanderLinden, R, Yamaguchi, M, Dube, P, Haselbach, D, Stark, H, Schulman, B.A.
Deposit date:2016-06-15
Release date:2016-08-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Cryo-EM of Mitotic Checkpoint Complex-Bound APC/C Reveals Reciprocal and Conformational Regulation of Ubiquitin Ligation.
Mol.Cell, 63, 2016
2R75
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BU of 2r75 by Molmil
Aquifex aeolicus FtsZ with 8-morpholino-GTP
Descriptor: 8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate), Cell division protein ftsZ, MAGNESIUM ION
Authors:Lappchen, T, Pinas, V.A, Hartog, A.F, Koomen, G.J, Schaffner-Barbero, C, Andreu, J.M, Trambaiolo, D, Lowe, J, Juhem, A, Popov, A.V, den Blaauwen, T.
Deposit date:2007-09-07
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Probing FtsZ and tubulin with C8-substituted GTP analogs reveals differences in their nucleotide binding sites
Chem.Biol., 15, 2008
2R8V
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BU of 2r8v by Molmil
Native structure of N-acetylglutamate synthase from Neisseria gonorrhoeae
Descriptor: ACETYL COENZYME *A, Putative acetylglutamate synthase
Authors:Shi, D, Sagar, V, Jin, Z, Yu, X, Caldovic, L, Morizono, H, Allewell, N.M, Tuchman, M.
Deposit date:2007-09-11
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of N-acetyl-L-glutamate synthase from Neisseria gonorrhoeae provides insights into mechanisms of catalysis and regulation.
J.Biol.Chem., 283, 2008
2R91
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BU of 2r91 by Molmil
Crystal Structure of KD(P)GA from T.tenax
Descriptor: 2-Keto-3-deoxy-(6-phospho-)gluconate aldolase, SULFATE ION
Authors:Pauluhn, A, Pohl, E, Lorentzen, E, Siebers, B, Ahmed, H, Buchinger, S, Schomburg, D.
Deposit date:2007-09-12
Release date:2008-03-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and stereochemical studies of KD(P)G aldolase from Thermoproteus tenax.
Proteins, 72, 2008
1OPJ
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BU of 1opj by Molmil
Structural basis for the auto-inhibition of c-Abl tyrosine kinase
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, MYRISTIC ACID, ...
Authors:Nagar, B, Hantschel, O, Young, M.A, Scheffzek, K, Veach, D, Bornmann, W, Clarkson, B, Superti-Furga, G, Kuriyan, J.
Deposit date:2003-03-06
Release date:2003-04-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the autoinhibition of c-Abl tyrosine kinase
Cell(Cambridge,Mass.), 112, 2003
5JWJ
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BU of 5jwj by Molmil
NMR solution structure of a thermophilic lysine methyl transferase from Sulfolobus islandicus
Descriptor: Protein-lysine N-methyltransferase
Authors:de Lichtenberg, C, Stiefler-Jensen, D, Schwarz-Linnet, T, She, Q, Teilum, K.
Deposit date:2016-05-12
Release date:2017-05-24
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NMR solution structure of a thermophilic lysine methyl transferase from Sulfolobus islandicus
To Be Published
7N7D
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BU of 7n7d by Molmil
Solution structure of the MYC promoter G-quadruplex in complex with berberine: conformer A
Descriptor: BERBERINE, Myc2345
Authors:Dickerhoff, J, Yang, D.
Deposit date:2021-06-10
Release date:2021-11-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Berberine Molecular Recognition of the Parallel MYC G-Quadruplex in Solution.
J.Med.Chem., 64, 2021
1QDP
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BU of 1qdp by Molmil
SOLUTION STRUCTURE OF ROBUSTOXIN, THE LETHAL NEUROTOXIN FROM THE FUNNEL WEB SPIDER ATRAX ROBUSTUS, NMR, 20 STRUCTURES
Descriptor: ROBUSTOXIN
Authors:Pallaghy, P.K, Alewood, D, Alewood, P.F, Norton, R.S.
Deposit date:1997-10-09
Release date:1998-01-14
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of robustoxin, the lethal neurotoxin from the funnel-web spider Atrax robustus.
FEBS Lett., 419, 1997
7N7E
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BU of 7n7e by Molmil
Solution structure of the MYC promoter G-quadruplex in complex with berberine: conformer B
Descriptor: BERBERINE, Myc2345
Authors:Dickerhoff, J, Yang, D.
Deposit date:2021-06-10
Release date:2021-11-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Berberine Molecular Recognition of the Parallel MYC G-Quadruplex in Solution.
J.Med.Chem., 64, 2021
1QKT
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BU of 1qkt by Molmil
MUTANT ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL
Descriptor: ESTRADIOL, ESTRADIOL RECEPTOR
Authors:Ruff, M, Gangloff, M, Eiler, S, Duclaud, S, Wurtz, J.M, Moras, D.
Deposit date:1999-08-05
Release date:2000-08-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a Mutant Heralpha Ligand- Binding Domain Reveals Key Structural Features for the Mechanism of Partial Agonism
J.Biol.Chem., 276, 2001
1OHQ
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BU of 1ohq by Molmil
Crystal structure of HEL4, a soluble human VH antibody domain resistant to aggregation
Descriptor: IMMUNOGLOBULIN
Authors:Jespers, L, Schon, O, James, L.C, Veprintsev, D, Winter, G.
Deposit date:2003-05-30
Release date:2004-03-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Hel4, a Soluble, Refoldable Human V(H) Single Domain with a Germ-Line Scaffold
J.Mol.Biol., 337, 2004
7MYN
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BU of 7myn by Molmil
Cryo-EM Structure of p110alpha in complex with p85alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K.
Deposit date:2021-05-21
Release date:2021-11-10
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
2R9O
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BU of 2r9o by Molmil
Cathepsin S complexed with Compound 8
Descriptor: Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
Authors:Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
Deposit date:2007-09-13
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
1QMW
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BU of 1qmw by Molmil
Solution structure of alpha-conotoxin SI
Descriptor: ALPHA-CONOTOXIN SI
Authors:Benie, A.J, Whitford, D, Hargittai, B, Barany, G, Janes, R.W.
Deposit date:1999-10-08
Release date:2000-08-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure of Alpha-Conotoxin Si
FEBS Lett., 476, 2000
1OIG
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BU of 1oig by Molmil
The solution structure of the DPY module from the Dumpy protein
Descriptor: Dumpy, isoform Y
Authors:Wilkin, M.B, Becker, M.N, Mulvey, D, Phan, I, Chao, A, Cooper, K, Chung, H.J, Campbell, I.D, Baron, M, MacIntyre, R.
Deposit date:2003-06-18
Release date:2003-06-26
Last modified:2018-06-20
Method:SOLUTION NMR
Cite:Drosophila Dumpy is a Gigantic Extracellular Protein Required to Maintain Tension at Epidermal-Cuticle Attachment Sites
Curr.Biol., 10, 2000
7MYO
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BU of 7myo by Molmil
Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K.
Deposit date:2021-05-21
Release date:2021-11-10
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
2RAB
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BU of 2rab by Molmil
Structure of glutathione amide reductase from Chromatium gracile in complex with NAD
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, NICKEL (II) ION, ...
Authors:Van Petegem, F, De Vos, D, Savvides, S, Vergauwen, B, Van Beeumen, J.
Deposit date:2007-09-14
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Understanding nicotinamide dinucleotide cofactor and substrate specificity in class I flavoprotein disulfide oxidoreductases: crystallographic analysis of a glutathione amide reductase.
J.Mol.Biol., 374, 2007
5KNR
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BU of 5knr by Molmil
E. coli HPRT in complexed with 9-[(N-phosphonoethyl-N-phosphonoethoxyethyl)-2-aminoethyl]-guanine
Descriptor: (2-{[2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
Authors:Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z.
Deposit date:2016-06-28
Release date:2017-07-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.864 Å)
Cite:Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase
Chemistryselect, 1, 2016
5KNU
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BU of 5knu by Molmil
Crystal structure of E. coli hypoxanthine phosphoribosyltransferase in complexed with 9-[N,N-(Bis-3-phosphonopropyl)aminomethyl]-9-deazahypoxanthine
Descriptor: 3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methyl-(3-phosphonopropyl)amino]propylphosphonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine-guanine phosphoribosyltransferase, ...
Authors:Eng, W.S, Keough, D.T, Baszczynski, O, Hockova, D, Janeba, Z.
Deposit date:2016-06-28
Release date:2017-07-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.808 Å)
Cite:Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase
Chemistryselect, 1, 2016
5KO2
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BU of 5ko2 by Molmil
Mouse pgp 34 linker deleted mutant Hg derivative
Descriptor: MERCURY (II) ION, Multidrug resistance protein 1A
Authors:Xia, D, Esser, L, Zhou, F.
Deposit date:2016-06-29
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity.
J. Biol. Chem., 292, 2017
1QOI
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BU of 1qoi by Molmil
U4/U6 snRNP-specific cyclophilin SnuCyp-20
Descriptor: SNUCYP-20
Authors:Reidt, U, Reuter, K, Achsel, T, Ingelfinger, D, Luehrmann, R, Ficner, R.
Deposit date:1999-11-09
Release date:2000-04-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Human U4/U6 Small Nuclear Ribonucleoproteinparticle-Specificsnucyp-20, a Nuclear Cyclophilin
J.Biol.Chem., 275, 2000
2RIF
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BU of 2rif by Molmil
CBS domain protein PAE2072 from Pyrobaculum aerophilum complexed with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CESIUM ION, Conserved protein with 2 CBS domains
Authors:Lee, T.M, King, N.P, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2007-10-10
Release date:2008-06-17
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures and Functional Implications of an AMP-Binding Cystathionine beta-Synthase Domain Protein from a Hyperthermophilic Archaeon.
J.Mol.Biol., 380, 2008
1QLS
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BU of 1qls by Molmil
S100C (S100A11),OR CALGIZZARIN, IN COMPLEX WITH ANNEXIN I N-TERMINUS
Descriptor: ANNEXIN I, CALCIUM ION, S100C PROTEIN
Authors:Rety, S, Sopkova, J, Renouard, M, Osterloh, D, Gerke, V, Russo-Marie, F, Lewit-Bentley, A.
Deposit date:1999-09-15
Release date:2000-02-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of the Ca2+ Dependent Association between S100C (S100A11) and its Target, the N-Terminal Part of Annexin I
Structure, 8, 2000
1OM2
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BU of 1om2 by Molmil
SOLUTION NMR STRUCTURE OF THE MITOCHONDRIAL PROTEIN IMPORT RECEPTOR TOM20 FROM RAT IN A COMPLEX WITH A PRESEQUENCE PEPTIDE DERIVED FROM RAT ALDEHYDE DEHYDROGENASE (ALDH)
Descriptor: PROTEIN (MITOCHONDRIAL ALDEHYDE DEHYDROGENASE), PROTEIN (MITOCHONDRIAL IMPORT RECEPTOR SUBUNIT TOM20)
Authors:Abe, Y, Shodai, T, Muto, T, Mihara, K, Torii, H, Nishikawa, S, Endo, T, Kohda, D.
Deposit date:1999-04-23
Release date:2000-02-02
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structural basis of presequence recognition by the mitochondrial protein import receptor Tom20.
Cell(Cambridge,Mass.), 100, 2000

224004

數據於2024-08-21公開中

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