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3ZKX
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TERNARY BACE2 XAPERONE COMPLEX
分子名称: BETA-SECRETASE 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Kuglstatter, A, Banner, D.W, Benz, J, Bertschinger, J, Burger, D, Cuppuleri, S, Debulpaep, M, Gast, A, Grabulovski, D, Gsell, B, Hilpert, H, Huber, W, Kusznir, E, Laeremans, T, Matile, H, Rufer, A, Schlatter, D, Steyeart, J, Stihle, M, Thoma, R, Weber, M, Ruf, A.
登録日2013-01-25
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
4GZM
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Crystal structure of RAC1 F28L mutant
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Ras-related C3 botulinum toxin substrate 1
著者Ha, B.H, Boggon, T.J.
登録日2012-09-06
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献RAC1P29S is a spontaneously activating cancer-associated GTPase.
Proc.Natl.Acad.Sci.USA, 110, 2013
4GZG
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Crystal structures of DHPA-CO complex
分子名称: CARBON MONOXIDE, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Zhao, J, Franzen, S.
登録日2012-09-06
公開日2013-09-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献The role of distal histidine in carbonmonoxide DHP structure
To be Published
4GZO
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N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with hepes
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Zhu, X, Wilson, I.A.
登録日2012-09-06
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors.
J.Virol., 86, 2012
4BVW
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Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ...
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-28
公開日2014-07-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4GZX
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N2 neuraminidase D151G mutant of A/Tanzania/205/2010 H3N2 in complex with human sialic acid receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhu, X, Wilson, I.A.
登録日2012-09-06
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors.
J.Virol., 86, 2012
3QJB
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BU of 3qjb by Molmil
Human Hemoglobin A Mutant Alpha H58L Carbonmonoxy-Form
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Birukou, I, Soman, J, Olson, J.S.
登録日2011-01-28
公開日2011-02-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Determination of Pathways for Oxygen Binding to Human HbA
Thesis
4GZS
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N2 neuraminidase D151G mutant of a/Tanzania/205/2010 H3N2 in complex with hepes
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Zhu, X, Wilson, I.A.
登録日2012-09-06
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors.
J.Virol., 86, 2012
4H07
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Complex of G65T Myoglobin with Phenol in its Proximal Cavity
分子名称: 1,2-ETHANEDIOL, Myoglobin, PHENOL, ...
著者Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H.
登録日2012-09-07
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Complex of myoglobin with phenol bound in a proximal cavity.
Acta Crystallogr.,Sect.F, 68, 2012
4H1E
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BU of 4h1e by Molmil
Structure of BACE-1 Bound to (7aR)-6-benzoyl-7a-(4-(3-cyanophenyl)thiophen-2-yl)-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-2(3H)-iminium
分子名称: 3-{5-[(2E,4aR,7aR)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1
著者Orth, P.
登録日2012-09-10
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
3RN3
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BU of 3rn3 by Molmil
SEGMENTED ANISOTROPIC REFINEMENT OF BOVINE RIBONUCLEASE A BY THE APPLICATION OF THE RIGID-BODY TLS MODEL
分子名称: RIBONUCLEASE A, SULFATE ION
著者Howlin, B, Moss, D.S, Harris, G.W, Palmer, R.A.
登録日1991-10-30
公開日1991-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Segmented anisotropic refinement of bovine ribonuclease A by the application of the rigid-body TLS model.
Acta Crystallogr.,Sect.A, 45, 1989
4C3Z
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Nucleotide-free crystal structure of nucleotide-binding domain 1 from human MRP1 supports a general-base catalysis mechanism for ATP hydrolysis.
分子名称: MULTIDRUG RESISTANCE-ASSOCIATED PROTEIN 1, SULFATE ION
著者Chaptal, V, Gueguen-Chaignon, V, Magnard, S, Falson, P, Di Pietro, A, Baubichon-Cortay, H.
登録日2013-08-28
公開日2014-09-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nucleotide-Free Crystal Structure of Nucleotide-Binding Domain 1 from Human Abcc1 Supports a 'General-Base Catalysis' Mechanism for ATP Hydrolysis.
Biochem.Pharm., 3, 2014
2XS2
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BU of 2xs2 by Molmil
Crystal structure of the RRM domain of mouse Deleted in azoospermia-like in complex with RNA, UUGUUCUU
分子名称: 5'-R(*UP*UP*GP*UP*UP*CP*UP*U)-3', DELETED IN AZOOSPERMIA-LIKE, ZINC ION
著者Jenkins, H.T, Edwards, T.A.
登録日2010-09-24
公開日2011-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Kinked beta-strands mediate high-affinity recognition of mRNA targets by the germ-cell regulator DAZL.
Proc. Natl. Acad. Sci. U.S.A., 108, 2011
4H6V
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BU of 4h6v by Molmil
Structure of Patellamide maturation protease PatA
分子名称: Subtilisin-like protein
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 (1.7 Å)
主引用文献Structures of cyanobactin maturation enzymes define a family of transamidating proteases.
Chem.Biol., 19, 2012
4C9M
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BU of 4c9m by Molmil
Structure of substrate free, glycerol bound wild type CYP101D1
分子名称: CYTOCHROME P450, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Batabyal, D, L Poulos, T.
登録日2013-10-02
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4LBT
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Endothiapepsin in complex with 100mM acylhydrazone inhibitor
分子名称: (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Radeva, N, Heine, A, Winquist, J, Klebe, G.
登録日2013-06-21
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.251 Å)
主引用文献Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
4H92
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Radiation damage study of lysozyme- 0.42 MGy
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Sutton, K.A, Snell, E.H.
登録日2012-09-24
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2002 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
4H90
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Radiation damage study of lysozyme - 0.28 MGy
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Sutton, K.A, Snell, E.H.
登録日2012-09-24
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1999 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
4H9B
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Radiation damage study of lysozyme - 0.70 MGy
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Sutton, K.A, Snell, E.H.
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 (1.1998 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
3RKQ
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NKX2.5 Homeodomain dimer bound to ANF-242 DNA
分子名称: ANF-242 DNA, Homeobox protein Nkx-2.5, MAGNESIUM ION
著者Genis, C, Scone, P, Kasahara, H, Nam, H.-J.
登録日2011-04-18
公開日2012-05-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the human NKX2.5 homeodomain in complex with DNA target.
Biochemistry, 51, 2012
4H9H
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Radiation damage study of lysozyme - 0.98 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 (1.2002 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
4LE1
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BU of 4le1 by Molmil
Crystal structure of the receiver domain of DesR in the inactive state
分子名称: ACETATE ION, GLYCEROL, SULFATE ION, ...
著者Trajtenberg, F, Larrieux, N, Buschiazzo, A.
登録日2013-06-25
公開日2014-07-16
最終更新日2015-05-06
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Allosteric activation of bacterial response regulators: the role of the cognate histidine kinase beyond phosphorylation.
MBio, 5, 2014
4LHH
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Endothiapepsin in complex with 2mM acylhydrazone inhibitor
分子名称: (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2013-07-01
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
4HBN
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Crystal structure of the human HCN4 channel C-terminus carrying the S672R mutation
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PHOSPHATE ION, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
著者Xu, X, Marni, F, Wu, X, Su, Z, Musayev, F, Shrestha, S, Xie, C, Gao, W, Liu, Q, Zhou, L.
登録日2012-09-28
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Local and Global Interpretations of a Disease-Causing Mutation near the Ligand Entry Path in Hyperpolarization-Activated cAMP-Gated Channel.
Structure, 20, 2012
1IWW
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Crystal Structure Analysis of Human lysozyme at 152K.
分子名称: CHLORIDE ION, LYSOZYME C
著者Joti, Y, Nakasako, M, Kidera, A, Go, N.
登録日2002-06-03
公開日2002-09-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Nonlinear temperature dependence of the crystal structure of lysozyme: correlation between coordinate shifts and thermal factors.
Acta Crystallogr.,Sect.D, 58, 2002

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