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6W5B
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BU of 6w5b by Molmil
N124D Deamidation Mutant of Human gammaD-Crystallin
分子名称: Gamma-crystallin D
著者Whitley, M.J, Rathi, N, Ambarian, M, Gronenborn, A.M.
登録日2020-03-12
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Assessing the Structures and Interactions of gamma D-Crystallin Deamidation Variants.
Structure, 29, 2021
4LP9
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BU of 4lp9 by Molmil
Endothiapepsin complexed with Phe-reduced-Tyr peptide.
分子名称: Endothiapepsin, GLYCEROL, SULFATE ION, ...
著者Guo, J, Cooper, J.B, Wood, S.P.
登録日2013-07-15
公開日2014-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The structure of endothiapepsin complexed with a Phe-Tyr reduced-bond inhibitor at 1.35 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 70, 2014
6PCW
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BU of 6pcw by Molmil
Human PIM1 bound to benzothiophene inhibitor 213
分子名称: 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide, GLYCEROL, Peptide, ...
著者Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-18
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献PIM1 bound to benzothiophene inhibitor
To Be Published
6VRF
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BU of 6vrf by Molmil
ADP bound TTBK2 kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Chodaparambil, J.V, Marcotte, D.J.
登録日2020-02-07
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanisms of Regulation and Diverse Activities of Tau-Tubulin Kinase (TTBK) Isoforms.
Cell Mol Neurobiol, 41, 2021
2KLJ
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BU of 2klj by Molmil
Solution Structure of gammaD-Crystallin with RDC and SAXS
分子名称: Gamma-crystallin D
著者Wang, J, Zuo, X, Yu, P, Byeon, I, Jung, J, Gronenborn, A.M, Wang, Y.
登録日2009-07-06
公開日2009-10-06
最終更新日2024-05-22
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Determination of multicomponent protein structures in solution using global orientation and shape restraints.
J.Am.Chem.Soc., 131, 2009
6P0M
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BU of 6p0m by Molmil
Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
分子名称: 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ...
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VLU
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BU of 6vlu by Molmil
Factor XIa in complex with compound 7
分子名称: CITRIC ACID, Coagulation factor XIa light chain, N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide
著者Lesburg, C.A, Fradera, X.
登録日2020-01-27
公開日2020-05-06
最終更新日2020-10-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
4LYB
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BU of 4lyb by Molmil
CdS within a lysoyzme single crystal
分子名称: CADMIUM ION, Lysozyme C
著者Wei, H, House, S, Wu, J, Zhang, J, Wang, Z, He, Y, Gao, Y.-G, Robinson, H, Li, W, Zuo, J.-M, Robertson, I.M, Lu, Y.
登録日2013-07-30
公開日2015-02-25
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Enhanced and tunable fluorescent quantum dots within a single crystal of protein
TO BE PUBLISHED
4LYF
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BU of 4lyf by Molmil
Crystal Structure of small molecule vinylsulfonamide 8 covalently bound to K-Ras G12C
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-07-31
公開日2013-11-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.568 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4LYZ
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BU of 4lyz by Molmil
Real-space refinement of the structure of hen egg-white lysozyme
分子名称: HEN EGG WHITE LYSOZYME
著者Diamond, R, Phillips, D.C, Blake, C.C.F, North, A.C.T.
登録日1975-02-01
公開日1977-04-12
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Real-space refinement of the structure of hen egg-white lysozyme.
J.Mol.Biol., 82, 1974
2K7D
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BU of 2k7d by Molmil
NMR Structure of Ca2+-bound CaBP1 C-domain
分子名称: CALCIUM ION, Calcium-binding protein 1
著者Ames, J.
登録日2008-08-08
公開日2008-11-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR Structure of Ca2+-bound CaBP1 C-domain
To be Published
4LYM
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BU of 4lym by Molmil
CRYSTAL STRUCTURE OF LOW HUMIDITY TETRAGONAL LYSOZYME AT 2.1-ANGSTROMS RESOLUTION. VARIABILITY IN HYDRATION SHELL AND ITS STRUCTURAL CONSEQUENCES
分子名称: HEN EGG WHITE LYSOZYME
著者Kodandapani, R, Suresh, C.G, Vijayan, M.
登録日1990-07-30
公開日1991-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of low humidity tetragonal lysozyme at 2.1-A resolution. Variability in hydration shell and its structural consequences.
J.Biol.Chem., 265, 1990
4LYT
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BU of 4lyt by Molmil
COMPARISON OF RADIATION-INDUCED DECAY AND STRUCTURE REFINEMENT FROM X-RAY DATA COLLECTED FROM LYSOZYME CRYSTALS AT LOW AND AMBIENT TEMPERATURES
分子名称: HEN EGG WHITE LYSOZYME
著者Dewan, J.C, Young, A.C.M, Tilton, R.F.
登録日1992-03-20
公開日1993-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Comparison of Radiation-Induced Decay and Structure Refinement from X-Ray Data Collected from Lysozyme Crystals at Low and Ambient Temperatures
J.Appl.Crystallogr., 26, 1993
4M2Q
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BU of 4m2q by Molmil
Crystal structure of non-myristoylated recoverin with Cysteine-39 oxidized to sulfenic acid
分子名称: CALCIUM ION, Recoverin
著者Prem Kumar, R, Chakrabarti, K, Kern, D, Oprian, D.D.
登録日2013-08-05
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin.
J.Biol.Chem., 288, 2013
6P4Z
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BU of 6p4z by Molmil
Structure of gadolinium-caged cobalt (III) insulin hexamer
分子名称: CHLORIDE ION, COBALT (II) ION, GADOLINIUM ATOM, ...
著者Tran, T.H, Taylor, S.K, Stojanovic, M.N, Tong, L.
登録日2019-05-29
公開日2019-06-12
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insulin Hexamer-Caged Gadolinium Ion as MRI Contrast-o-phore
ChemBioChem, 24, 2018
6P0J
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BU of 6p0j by Molmil
Crystal structure of GDP-bound human RalA
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
4M4H
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BU of 4m4h by Molmil
Radiation damage study of Cu T6-insulin - 0.06 MGy
分子名称: COPPER (II) ION, Insulin
著者Frankaer, C.G, Harris, P, Stahl, K.
登録日2013-08-07
公開日2014-01-15
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Towards accurate structural characterization of metal centres in protein crystals: the structures of Ni and Cu T6 bovine insulin derivatives.
Acta Crystallogr.,Sect.D, 70, 2014
2K8G
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BU of 2k8g by Molmil
Solution structure of RRM2 domain of PABP1
分子名称: Polyadenylate-binding protein 1
著者Barsukov, I, Parnham, S.
登録日2008-09-09
公開日2009-10-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of RRM2 domain of PABP1
To be Published
4M4O
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BU of 4m4o by Molmil
Crystal structure of the aptamer minE-lysozyme complex
分子名称: Lysozyme C, MAGNESIUM ION, RNA (59-MER), ...
著者Malashkevich, V.N, Padlan, F.C, Toro, R, Girvin, M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-08-07
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the aptamer minE-lysozyme complex
to be published
4M1W
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BU of 4m1w by Molmil
Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C
分子名称: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, MAGNESIUM ION, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-08-04
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
6VVU
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BU of 6vvu by Molmil
Anti-Tryptase fab E104.v1 bound to tryptase
分子名称: CALCIUM ION, Fab E104.v1 heavy chain, Fab E104.v1 light chain, ...
著者Ultsch, M, Koerber, J.T.
登録日2020-02-18
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Bivalent antibody pliers inhibit beta-tryptase by an allosteric mechanism dependent on the IgG hinge.
Nat Commun, 11, 2020
4M2O
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BU of 4m2o by Molmil
Crystal structure of a non-myristoylated C39A recoverin mutant with one calcium ion bound to EF-hand 3
分子名称: CALCIUM ION, Recoverin
著者Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
登録日2013-08-05
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin.
J.Biol.Chem., 288, 2013
2KJJ
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BU of 2kjj by Molmil
Dynamics of insulin probed by 1H-NMR amide proton exchange anomalous flexibility of the receptor-binding surface
分子名称: Insulin
著者Hua, Q.X, Weiss, M.A.
登録日2009-05-29
公開日2010-06-16
最終更新日2021-10-13
実験手法SOLUTION NMR
主引用文献Dynamics of Insulin Probed by 1H-NMR Amide Proton E Anomalous Flexibility of the Receptor-Binding Surfa
To be Published
6PBB
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BU of 6pbb by Molmil
Crystal structure of Hen Egg White Lysozyme in complex with I3C
分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CHLORIDE ION, Lysozyme
著者Truong, J.Q.
登録日2019-06-13
公開日2019-07-10
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.89151084 Å)
主引用文献Combining random microseed matrix screening and the magic triangle for the efficient structure solution of a potential lysin from bacteriophage P68.
Acta Crystallogr D Struct Biol, 75, 2019
4M5T
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BU of 4m5t by Molmil
Disulfide trapped human alphaB crystallin core domain in complex with C-terminal peptide
分子名称: Alpha-crystallin B chain, SULFATE ION
著者Laganowsky, A, Cascio, D, Hochberg, G, Sawaya, M.R, Benesch, J.L.P, Robinson, C.V, Eisenberg, D.
登録日2013-08-08
公開日2014-04-09
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity.
Proc.Natl.Acad.Sci.USA, 111, 2014

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