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7Z7H
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BU of 7z7h by Molmil
Structure of P. luminescens TccC3-F-actin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, Actin, ...
Authors:Belyy, A, Raunser, S.
Deposit date:2022-03-15
Release date:2022-06-29
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mechanism of threonine ADP-ribosylation of F-actin by a Tc toxin.
Nat Commun, 13, 2022
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
Descriptor: (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R.
Deposit date:2006-03-16
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
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
Descriptor: 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, ...
Authors:Banner, D.W, Hadvary, P.
Deposit date:1992-08-19
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), BENZAMIDINE, ...
Authors:Banner, D.W, Hadvary, P.
Deposit date:1992-08-19
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3.16 Å)
Cite: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
Descriptor: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
Authors:Banner, D.W, Hadvary, P.
Deposit date:1992-08-19
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
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
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN IIIA, ...
Authors:Banner, D.W, Hadvary, P.
Deposit date:1992-08-19
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
3CTI
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BU of 3cti by Molmil
RELAXATION MATRIX REFINEMENT OF THE SOLUTION STRUCTURE OF SQUASH TRYPSIN INHIBITOR
Descriptor: TRYPSIN INHIBITOR
Authors:Nilges, M, Habazettl, J, Bruenger, A.T, Holak, T.A.
Deposit date:1991-03-27
Release date:1992-04-15
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Relaxation matrix refinement of the solution structure of squash trypsin inhibitor.
J.Mol.Biol., 219, 1991
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
Descriptor: ALPHA-THROMBIN (HEAVY CHAIN), ALPHA-THROMBIN (LIGHT CHAIN), FACTOR XIII ACTIVATION PEPTIDE (28-37), ...
Authors:Sadasivan, C, Yee, V.C.
Deposit date:1999-11-13
Release date:2000-12-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction of the factor XIII activation peptide with alpha -thrombin. Crystal structure of its enzyme-substrate analog complex.
J.Biol.Chem., 275, 2000
5NCF
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BU of 5ncf by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-4]-OH
Descriptor: (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, ...
Authors:Barone, M, Roske, Y.
Deposit date:2017-03-04
Release date:2017-06-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: Ac-[2-Cl-F]-PP-[ProM-1]-NH2, CHLORIDE ION, Protein enabled homolog
Authors:Barone, M, Roske, Y.
Deposit date:2017-02-26
Release date:2017-06-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Ac-[2-Cl-F]-PP-[ProM-1]-OH, GLYCEROL, NITRATE ION, ...
Authors:Barone, M, Roske, Y.
Deposit date:2017-02-24
Release date:2017-06-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.16 Å)
Cite: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
Descriptor: 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
Authors:Bode, W.
Deposit date:1991-10-24
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.92 Å)
Cite: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
Descriptor: Sclerostin
Authors:Weidauer, S.E, Mueller, T.D.
Deposit date:2009-01-02
Release date:2009-02-10
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:NMR structure of the Wnt modulator protein Sclerostin
Biochem.Biophys.Res.Commun., 380, 2009
2M3U
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BU of 2m3u by Molmil
Solution-state NMR structure of cataract-related human gamma(S)-crystallin point variant G18V
Descriptor: Beta-crystallin S
Authors:Brubaker, W.D, Martin, R.W.
Deposit date:2013-01-25
Release date:2013-11-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: Beta-crystallin S
Authors:Brubaker, W.D, Martin, R.W.
Deposit date:2013-01-25
Release date:2013-11-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Preferential and Specific Binding of Human alpha B-Crystallin to a Cataract-Related Variant of gamma S-Crystallin.
Structure, 21, 2013
1HIJ
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BU of 1hij by Molmil
INTERLEUKIN-4 MUTANT WITH ARG 88 REPLACED WITH GLN (R88Q)
Descriptor: INTERLEUKIN-4
Authors:Mueller, T, Buehner, M.
Deposit date:1995-06-01
Release date:1996-01-29
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (3 Å)
Cite: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)
Descriptor: INTERLEUKIN-4
Authors:Mueller, T, Buehner, M.
Deposit date:1995-06-01
Release date:1996-01-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
1N1X
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BU of 1n1x by Molmil
Crystal Structure Analysis of the monomeric [S-carboxyamidomethyl-Cys31, S-carboxyamidomethyl-Cys32] Bovine seminal ribonuclease
Descriptor: Ribonuclease, seminal
Authors:Sica, F, Di Fiore, A, Zagari, A, Mazzarella, L.
Deposit date:2002-10-21
Release date:2003-08-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The unswapped chain of bovine seminal ribonuclease: Crystal structure of the free and liganded monomeric derivative
Proteins, 52, 2003
2I59
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BU of 2i59 by Molmil
Solution structure of RGS10
Descriptor: Regulator of G-protein signaling 10
Authors: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)
Deposit date:2006-08-24
Release date:2006-10-31
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2JM5
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BU of 2jm5 by Molmil
Solution Structure of the RGS domain from human RGS18
Descriptor: Regulator of G-protein signaling 18
Authors: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)
Deposit date:2006-10-11
Release date:2006-10-24
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1PVW
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BU of 1pvw by Molmil
3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, PHOSPHATE ION, ...
Authors:Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M.
Deposit date:2003-06-29
Release date:2003-11-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, RIBULOSE-5-PHOSPHATE, ...
Authors:Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M.
Deposit date:2003-06-29
Release date:2003-11-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
2JNU
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BU of 2jnu by Molmil
Solution structure of the RGS domain of human RGS14
Descriptor: Regulator of G-protein signaling 14
Authors: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)
Deposit date:2007-02-02
Release date:2007-02-27
Last modified:2024-05-08
Method:SOLUTION NMR
Cite: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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