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2CI0
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BU of 2ci0 by Molmil
High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors
分子名称: (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R.
登録日2006-03-16
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
1BTN
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BU of 1btn by Molmil
STRUCTURE OF THE BINDING SITE FOR INOSITOL PHOSPHATES IN A PH DOMAIN
分子名称: BETA-SPECTRIN, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE
著者Wilmanns, M, Hyvoenen, M, Saraste, M.
登録日1995-08-23
公開日1996-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the binding site for inositol phosphates in a PH domain.
EMBO J., 14, 1995
3CTI
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BU of 3cti by Molmil
RELAXATION MATRIX REFINEMENT OF THE SOLUTION STRUCTURE OF SQUASH TRYPSIN INHIBITOR
分子名称: TRYPSIN INHIBITOR
著者Nilges, M, Habazettl, J, Bruenger, A.T, Holak, T.A.
登録日1991-03-27
公開日1992-04-15
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Relaxation matrix refinement of the solution structure of squash trypsin inhibitor.
J.Mol.Biol., 219, 1991
2M3U
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BU of 2m3u by Molmil
Solution-state NMR structure of cataract-related human gamma(S)-crystallin point variant G18V
分子名称: Beta-crystallin S
著者Brubaker, W.D, Martin, R.W.
登録日2013-01-25
公開日2013-11-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Preferential and Specific Binding of Human alpha B-Crystallin to a Cataract-Related Variant of gamma S-Crystallin.
Structure, 21, 2013
2M3T
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BU of 2m3t by Molmil
Solution-state NMR structure of wild-type human gamma(S)-crystallin
分子名称: Beta-crystallin S
著者Brubaker, W.D, Martin, R.W.
登録日2013-01-25
公開日2013-11-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Preferential and Specific Binding of Human alpha B-Crystallin to a Cataract-Related Variant of gamma S-Crystallin.
Structure, 21, 2013
5NCF
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BU of 5ncf by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-4]-OH
分子名称: (1~{S},4~{S},7~{R},10~{R})-14-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-3,14-diazatricyclo[8.4.0.0^{3,7}]tetradec-8-ene-4-carboxylic acid, GLYCEROL, NITRATE ION, ...
著者Barone, M, Roske, Y.
登録日2017-03-04
公開日2017-06-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5N9P
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BU of 5n9p by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-1]-NH2
分子名称: Ac-[2-Cl-F]-PP-[ProM-1]-NH2, CHLORIDE ION, Protein enabled homolog
著者Barone, M, Roske, Y.
登録日2017-02-26
公開日2017-06-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5N9C
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BU of 5n9c by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-1]-OH
分子名称: Ac-[2-Cl-F]-PP-[ProM-1]-OH, GLYCEROL, NITRATE ION, ...
著者Barone, M, Roske, Y.
登録日2017-02-24
公開日2017-06-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
1PPB
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BU of 1ppb by Molmil
THE REFINED 1.9 ANGSTROMS CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN: INTERACTION WITH D-PHE-PRO-ARG CHLOROMETHYLKETONE AND SIGNIFICANCE OF THE TYR-PRO-PRO-TRP INSERTION SEGMENT
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
著者Bode, W.
登録日1991-10-24
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The refined 1.9 A crystal structure of human alpha-thrombin: interaction with D-Phe-Pro-Arg chloromethylketone and significance of the Tyr-Pro-Pro-Trp insertion segment.
EMBO J., 8, 1989
2KD3
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BU of 2kd3 by Molmil
NMR structure of the Wnt modulator protein Sclerostin
分子名称: Sclerostin
著者Weidauer, S.E, Mueller, T.D.
登録日2009-01-02
公開日2009-02-10
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献NMR structure of the Wnt modulator protein Sclerostin
Biochem.Biophys.Res.Commun., 380, 2009
1CEW
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BU of 1cew by Molmil
THE 2.0 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF CHICKEN EGG WHITE CYSTATIN AND ITS POSSIBLE MODE OF INTERACTION WITH CYSTEINE PROTEINASES
分子名称: CYSTATIN
著者Bode, W, Musil, D, Huber, R.
登録日1993-04-21
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The 2.0 A X-ray crystal structure of chicken egg white cystatin and its possible mode of interaction with cysteine proteinases.
EMBO J., 7, 1988
1DWC
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BU of 1dwc by Molmil
CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN IIIA, ...
著者Banner, D.W, Hadvary, P.
登録日1992-08-19
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWD
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BU of 1dwd by Molmil
CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
分子名称: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
著者Banner, D.W, Hadvary, P.
登録日1992-08-19
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWE
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BU of 1dwe by Molmil
Crystallographic analysis at 3.0-Angstroms resolution of the binding to human thrombin of four active site-directed inhibitors
分子名称: ALPHA-THROMBIN heavy chain, ALPHA-THROMBIN light chain, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Banner, D.W, Hadvary, P.
登録日1992-08-19
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWB
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BU of 1dwb by Molmil
CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), BENZAMIDINE, ...
著者Banner, D.W, Hadvary, P.
登録日1992-08-19
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
2JM5
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BU of 2jm5 by Molmil
Solution Structure of the RGS domain from human RGS18
分子名称: Regulator of G-protein signaling 18
著者Higman, V.A, Leidert, M, Bray, J, Elkins, J, Soundararajan, M, Doyle, D.A, Gileadi, C, Phillips, C, Schoch, G, Yang, X, Brockmann, C, Schmieder, P, Diehl, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC)
登録日2006-10-11
公開日2006-10-24
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1DE7
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BU of 1de7 by Molmil
INTERACTION OF FACTOR XIII ACTIVATION PEPTIDE WITH ALPHA-THROMBIN: CRYSTAL STRUCTURE OF THE ENZYME-SUBSTRATE COMPLEX
分子名称: ALPHA-THROMBIN (HEAVY CHAIN), ALPHA-THROMBIN (LIGHT CHAIN), FACTOR XIII ACTIVATION PEPTIDE (28-37), ...
著者Sadasivan, C, Yee, V.C.
登録日1999-11-13
公開日2000-12-13
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interaction of the factor XIII activation peptide with alpha -thrombin. Crystal structure of its enzyme-substrate analog complex.
J.Biol.Chem., 275, 2000
1PVW
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BU of 1pvw by Molmil
3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, PHOSPHATE ION, ...
著者Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M.
登録日2003-06-29
公開日2003-11-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of 3,4-Dihydroxy-2-butanone 4-Phosphate Synthase from Methanococcus jannaschii in Complex with Divalent Metal Ions and the Substrate Ribulose 5-Phosphate: IMPLICATIONS FOR THE CATALYTIC MECHANISM
J.Biol.Chem., 278, 2003
1PVY
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BU of 1pvy by Molmil
3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii in complex with ribulose 5-phosphate
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, RIBULOSE-5-PHOSPHATE, ...
著者Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M.
登録日2003-06-29
公開日2003-11-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of 3,4-Dihydroxy-2-butanone 4-Phosphate Synthase from Methanococcus jannaschii in Complex with Divalent Metal Ions and the Substrate Ribulose 5-Phosphate: IMPLICATIONS FOR THE CATALYTIC MECHANISM
J.Biol.Chem., 278, 2003
1HIJ
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BU of 1hij by Molmil
INTERLEUKIN-4 MUTANT WITH ARG 88 REPLACED WITH GLN (R88Q)
分子名称: INTERLEUKIN-4
著者Mueller, T, Buehner, M.
登録日1995-06-01
公開日1996-01-29
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Human interleukin-4 and variant R88Q: phasing X-ray diffraction data by molecular replacement using X-ray and nuclear magnetic resonance models.
J.Mol.Biol., 247, 1995
1HIK
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BU of 1hik by Molmil
INTERLEUKIN-4 (WILD-TYPE)
分子名称: INTERLEUKIN-4
著者Mueller, T, Buehner, M.
登録日1995-06-01
公開日1996-01-29
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Human interleukin-4 and variant R88Q: phasing X-ray diffraction data by molecular replacement using X-ray and nuclear magnetic resonance models.
J.Mol.Biol., 247, 1995
2I59
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BU of 2i59 by Molmil
Solution structure of RGS10
分子名称: Regulator of G-protein signaling 10
著者Fedorov, O, Higman, V.A, Diehl, A, Leidert, M, Lemak, A, Schmieder, P, Oschkinat, H, Elkins, J, Soundarajan, M, Doyle, D.A, Arrowsmith, C, Sundstrom, M, Weigelt, J, Edwards, A, Ball, L.J, Structural Genomics Consortium (SGC)
登録日2006-08-24
公開日2006-10-31
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2JNU
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BU of 2jnu by Molmil
Solution structure of the RGS domain of human RGS14
分子名称: Regulator of G-protein signaling 14
著者Dowler, E.F, Diehl, A, Bray, J, Elkins, J, Soundararajan, M, Doyle, D.A, Gileadi, C, Phillips, C, Schoch, G.A, Yang, X, Brockmann, C, Leidert, M, Rehbein, K, Schmieder, P, Kuhne, R, Higman, V.A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC)
登録日2007-02-02
公開日2007-02-27
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008

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