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4FEI
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BU of 4fei by Molmil
Hsp17.7 from Deinococcus radiodurans
分子名称: Heat shock protein-related protein
著者Bepperling, A, Alte, F, Kriehuber, T, Braun, N, Weinkauf, S, Groll, M, Haslbeck, M, Buchner, J.
登録日2012-05-30
公開日2012-12-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Alternative bacterial two-component small heat shock protein systems.
Proc.Natl.Acad.Sci.USA, 109, 2012
3CKR
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BU of 3ckr by Molmil
Crystal structure of BACE-1 in complex with inhibitor
分子名称: (4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide, Beta-secretase 1
著者Min, K.
登録日2008-03-16
公開日2008-06-03
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis, SAR, and X-ray structure of human BACE-1 inhibitors with cyclic urea derivatives
Bioorg.Med.Chem.Lett., 18, 2008
3CZ5
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BU of 3cz5 by Molmil
Crystal structure of two-component response regulator, LuxR family, from Aurantimonas sp. SI85-9A1
分子名称: PHOSPHATE ION, Two-component response regulator, LuxR family
著者Malashkevich, V.N, Toro, R, Wasserman, S.R, Meyer, A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-04-28
公開日2008-05-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of two-component response regulator, LuxR family, from Aurantimonas sp. SI85-9A1.
To be Published
4JN4
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BU of 4jn4 by Molmil
Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, GLYCEROL, ...
著者Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q.
登録日2013-03-14
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP.
Nat.Struct.Mol.Biol., 20, 2013
4A7E
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BU of 4a7e by Molmil
X-ray crystal structure of porcine insulin flash-cooled at high pressure
分子名称: INSULIN A CHAIN, INSULIN B CHAIN
著者Burkhardt, A, Warmer, M, Panneerselvam, S, Wagner, A, Reimer, R, Hohenberg, H, Meents, A.
登録日2011-11-14
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.856 Å)
主引用文献Fast High-Pressure Freezing of Protein Crystals in Their Mother Liquor
Acta Crystallogr.,Sect.F, 68, 2012
4A7D
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BU of 4a7d by Molmil
X-ray crystal structure of HEWL flash-cooled at high pressure
分子名称: CHLORIDE ION, LYSOZYME C, SODIUM ION
著者Burkhardt, A, Warmer, M, Panneerselvam, S, Wagner, A, Reimer, R, Hohenberg, H, Meents, A.
登録日2011-11-14
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Fast High-Pressure Freezing of Protein Crystals in Their Mother Liquor
Acta Crystallogr.,Sect.F, 68, 2012
4H5V
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BU of 4h5v by Molmil
HSC70 NBD with Mg
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Stec, B.
登録日2012-09-18
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
4H6O
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BU of 4h6o by Molmil
Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole
分子名称: 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase
著者Wawrzak, Z, Hargrove, T.Y, Pollastri, M.P, Lepesheva, G.I.
登録日2012-09-19
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth.
J.Med.Chem., 56, 2013
4H6X
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BU of 4h6x by Molmil
Structure of Patellamide maturation protease PatG
分子名称: Thiazoline oxidase/subtilisin-like protease
著者Nair, S.K, Agarwal, V.
登録日2012-09-19
公開日2012-10-03
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of cyanobactin maturation enzymes define a family of transamidating proteases.
Chem.Biol., 19, 2012
3D6Q
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BU of 3d6q by Molmil
The RNase A- 5'-Deoxy-5'-N-piperidinouridine complex
分子名称: 1-(5-deoxy-5-piperidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione, CITRATE ANION, Ribonuclease pancreatic
著者Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
登録日2008-05-20
公開日2009-02-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation.
J.Med.Chem., 52, 2009
4H9F
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BU of 4h9f by Molmil
Radiation damage study of lysozyme - 0.91 MGy
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Sutton, K.A.
登録日2012-09-24
公開日2013-05-15
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.2003 Å)
主引用文献Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
4ABF
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BU of 4abf by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4AJU
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BU of 4aju by Molmil
Crystal structure of the reactive loop cleaved ZPI in P41 space group
分子名称: 1,2-ETHANEDIOL, PROTEIN Z-DEPENDENT PROTEASE INHIBITOR, SULFATE ION
著者Zhou, A, Yan, Y, Wei, Z.
登録日2012-02-19
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Basis for Catalytic Activation of Protein Z-Dependent Protease Inhibitor (Zpi) by Protein Z.
Blood, 120, 2012
3CXI
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BU of 3cxi by Molmil
Structure of BthTX-I complexed with alpha-tocopherol
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Myotoxic phospholipase A2-like, SULFATE ION, ...
著者dos Santos, J.I, Fontes, M.R.M.
登録日2008-04-24
公開日2009-05-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Comparative structural studies on Lys49-phospholipases A(2) from Bothrops genus reveal their myotoxic site.
J.Struct.Biol., 167, 2009
3CY0
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BU of 3cy0 by Molmil
Crystal structure of cytochrome P450 CYP121 S237A mutant from Mycobacterium tuberculosis
分子名称: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Leys, D.
登録日2008-04-25
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterisation of active site structure of cytochrome CYP121
TO BE PUBLISHED
4FMX
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BU of 4fmx by Molmil
Crystal Structure of Substrate-Bound P450cin
分子名称: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, GLYCEROL, P450cin, ...
著者Madrona, Y, Tripathi, S.M, Huiying, L, Poulos, T.L.
登録日2012-06-18
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.554 Å)
主引用文献Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
4BD4
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BU of 4bd4 by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant H43F
分子名称: GLYCEROL, SUPEROXIDE DISMUTASE [CU-ZN]
著者Awad, W, Saraboji, K, Danielsson, J, Lang, L, Kurnik, M, Marklund, S.L, Oliveberg, M, Logan, D.T.
登録日2012-10-04
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Global Structural Motions from the Strain of a Single Hydrogen Bond.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FGX
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BU of 4fgx by Molmil
Crystal structure of bace1 with novel inhibitor
分子名称: Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ...
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2012-06-05
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4FH6
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BU of 4fh6 by Molmil
Structure of DHP A in complex with 2,4,6-tribromophenol in 10% DMSO
分子名称: 2,4,6-TRIBROMOPHENOL, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ...
著者de Serrano, V.S, Franzen, S.
登録日2012-06-05
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Biochemistry, 52, 2013
4FHQ
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BU of 4fhq by Molmil
Crystal Structure of HVEM
分子名称: Tumor necrosis factor receptor superfamily member 14
著者Liu, W, Zhan, C, Patskovsky, Y, Bhosle, R.C, Nathenson, S.G, Almo, S.C, Atoms-to-Animals: The Immune Function Network (IFN), New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-06-06
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Increased Heterologous Protein Expression in Drosophila S2 Cells for Massive Production of Immune Ligands/Receptors and Structural Analysis of Human HVEM.
Mol Biotechnol, 57, 2015
4HGC
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BU of 4hgc by Molmil
Crystal structure of bovine trypsin complexed with sfti-1 analog containing a peptoid residue at position p1
分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者Krzywda, S, Jaskolski, M, Rolka, K, Stawikowski, M.
登録日2012-10-08
公開日2013-10-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Structure of a proteolytically resistant analogue of (NLys)(5)SFTI-1 in complex with trypsin: evidence for the direct participation of the Ser214 carbonyl group in serine protease-mediated proteolysis.
Acta Crystallogr.,Sect.D, 70, 2014
4BJK
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BU of 4bjk by Molmil
CYP51 of Trypanosoma brucei bound to (S)-N-(3-(1H-indol-3-yl)-1-oxo-1- (pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4- carboxamide
分子名称: 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide, LANOSTEROL 14-ALPHA-DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M.
登録日2013-04-18
公開日2013-09-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Rational Development of 4-Aminopyridyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 as Anti-Chagas Agents.
J.Med.Chem., 56, 2013
3D6P
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BU of 3d6p by Molmil
RNase A- 5'-Deoxy-5'-N-morpholinouridine complex
分子名称: 1-(5-deoxy-5-morpholin-4-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione, Ribonuclease pancreatic
著者Leonidas, D.D, Zogrpahos, S.E, Oikonomakos, N.G.
登録日2008-05-20
公開日2009-02-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation.
J.Med.Chem., 52, 2009
4BB2
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BU of 4bb2 by Molmil
Crystal structure of cleaved corticosteroid-binding globulin in complex with progesterone
分子名称: 1,2-ETHANEDIOL, CORTICOSTEROID-BINDING GLOBULIN, CYSTEINE, ...
著者Gardill, B.R, Vogl, M.R, Lin, H, Hammond, G.L, Muller, Y.A.
登録日2012-09-19
公開日2012-12-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Corticosteroid-Binding Globulin: Structure-Function Implications from Species Differences
Plos One, 7, 2012
4BAF
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Hen egg-white lysozyme structure in complex with the europium tris- hydroxyethyltriazoledipicolinate complex at 1.51 A resolution.
分子名称: 4-(4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ...
著者Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E.
登録日2012-09-14
公開日2012-11-14
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (1.507 Å)
主引用文献Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012

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