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4ETO
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BU of 4eto by Molmil
Structure of S100A4 in complex with non-muscle myosin-IIA peptide
Descriptor: CALCIUM ION, Myosin-9, Protein S100-A4
Authors:Ramagopal, U.A, Dulyaninova, N.G, Kumar, P.R, Almo, S.C, Bresnick, A.R, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2012-04-24
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structure of S100A4 with bound peptide P
To be Published
5YXL
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BU of 5yxl by Molmil
A ligand M binding to FXR
Descriptor: 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
Authors:Yi, L, Yong, L.
Deposit date:2017-12-05
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:A ligand M binding to FXR
To Be Published
5YXB
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BU of 5yxb by Molmil
A ligand binding to FXR
Descriptor: 2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
Authors:Yi, L, Yong, L.
Deposit date:2017-12-04
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:A ligand binding to FXR
To Be Published
1SRM
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BU of 1srm by Molmil
1H AND 15N ASSIGNMENTS AND SECONDARY STRUCTURE OF THE SRC SH3 DOMAIN
Descriptor: SRC TYROSINE KINASE SH3 DOMAIN
Authors:Yu, H, Rosen, M.K, Shin, T.B, Seidel-Dugan, C, Brugge, J.S, Schreiber, S.L.
Deposit date:1994-03-07
Release date:1994-05-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:1H and 15N assignments and secondary structure of the Src SH3 domain.
FEBS Lett., 324, 1993
1SHF
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BU of 1shf by Molmil
CRYSTAL STRUCTURE OF THE SH3 DOMAIN IN HUMAN FYN; COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF SH3 DOMAINS IN TYROSINE KINASES AND SPECTRIN
Descriptor: FYN TYROSINE KINASE SH3 DOMAIN
Authors:Noble, M, Musacchio, A, Saraste, M, Wierenga, R.
Deposit date:1993-05-19
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the SH3 domain in human Fyn; comparison of the three-dimensional structures of SH3 domains in tyrosine kinases and spectrin.
EMBO J., 12, 1993
5L9B
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BU of 5l9b by Molmil
HIF PROLYL HYDROXYLASE 2 (PHD2/ EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-1ALPHA CODD (556-574)
Descriptor: 2-OXOGLUTARIC ACID, Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-10
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LA9
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BU of 5la9 by Molmil
HIF prolyl hydroxylase 2 (PHD2-R281C/V314C) cross-linked to HIF-1alpha NODD-L397C/D412C and N-oxalylglycine (NOG) (complex-2)
Descriptor: Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-14
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
1SRL
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BU of 1srl by Molmil
1H AND 15N ASSIGNMENTS AND SECONDARY STRUCTURE OF THE SRC SH3 DOMAIN
Descriptor: SRC TYROSINE KINASE SH3 DOMAIN
Authors:Yu, H, Rosen, M.K, Shin, T.B, Seidel-Dugan, C, Brugge, J.S, Schreiber, S.L.
Deposit date:1994-03-07
Release date:1994-05-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:1H and 15N assignments and secondary structure of the Src SH3 domain.
FEBS Lett., 324, 1993
4HAW
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BU of 4haw by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(K548A)-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
Authors:Sun, Q, Chook, Y.M.
Deposit date:2012-09-27
Release date:2013-01-09
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
7ZCW
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BU of 7zcw by Molmil
Cryo-EM structure of GMPCPP-microtubules in complex with VASH2-SVBP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Choi, S.R, Blum, T, Steinmetz, M.O.
Deposit date:2022-03-29
Release date:2022-12-14
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:VASH1-SVBP and VASH2-SVBP generate different detyrosination profiles on microtubules.
J.Cell Biol., 222, 2023
1SDF
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BU of 1sdf by Molmil
SOLUTION STRUCTURE OF STROMAL CELL-DERIVED FACTOR-1 (SDF-1), NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: STROMAL CELL-DERIVED FACTOR-1
Authors:Crump, M.P, Rajarathnam, K, Clark-Lewis, I, Sykes, B.D.
Deposit date:1997-11-15
Release date:1998-01-28
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure and basis for functional activity of stromal cell-derived factor-1; dissociation of CXCR4 activation from binding and inhibition of HIV-1.
EMBO J., 16, 1997
2V3S
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BU of 2v3s by Molmil
Structural insights into the recognition of substrates and activators by the OSR1 kinase
Descriptor: ACETATE ION, SERINE/THREONINE-PROTEIN KINASE OSR1, SERINE/THREONINE-PROTEIN KINASE WNK4
Authors:Villa, F, Goebel, J, Rafiqi, F.H, Deak, M, Thastrup, J, Alessi, D.R, van Aalten, D.M.F.
Deposit date:2007-06-21
Release date:2007-07-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights Into the Recognition of Substrates and Activators by the Osr1 Kinase
Embo Rep., 8, 2007
4HB4
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BU of 4hb4 by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(537DLTVK541/GLCEQ)-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
Authors:Sun, Q, Chook, Y.M.
Deposit date:2012-09-27
Release date:2013-01-09
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HAZ
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BU of 4haz by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(R543S,K548E,K579Q)-Ran-RanBP1
Descriptor: CHLORIDE ION, Exportin-1, GTP-binding nuclear protein Ran, ...
Authors:Sun, Q, Chook, Y.M.
Deposit date:2012-09-27
Release date:2013-01-09
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
7YUY
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BU of 7yuy by Molmil
Structure of a mutated membrane-bound glycosyltransferase
Descriptor: (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J.
Deposit date:2022-08-18
Release date:2023-03-29
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1.
Nature, 616, 2023
4HAY
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BU of 4hay by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(K548E,K579Q)-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
Authors:Sun, Q, Chook, Y.M.
Deposit date:2012-09-27
Release date:2013-01-09
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H0W
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BU of 4h0w by Molmil
Bismuth bound human serum transferrin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bismuth(III) ION, CARBONATE ION, ...
Authors:Yang, N, Zhang, H, Wang, M, Hao, Q, Sun, H.
Deposit date:2012-09-10
Release date:2012-12-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iron and bismuth bound human serum transferrin reveals a partially-opened conformation in the N-lobe.
Sci Rep, 2, 2012
7YV1
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BU of 7yv1 by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ...
Authors:Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A.
Deposit date:2022-08-18
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
7YUZ
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BU of 7yuz by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784
Descriptor: AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ...
Authors:Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
Deposit date:2022-08-18
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
4HB3
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BU of 4hb3 by Molmil
Crystal structure of CRM1(T539S)-Ran-RanBP1 with weakly bound unmodeled Leptomycin B
Descriptor: CHLORIDE ION, Exportin-1, GTP-binding nuclear protein Ran, ...
Authors:Sun, Q, Chook, Y.M.
Deposit date:2012-09-27
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
1T84
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BU of 1t84 by Molmil
Solution structure of the Wiskott-Aldrich Syndrome Protein (WASP) autoinhibited core domain complexed with (S)-wiskostatin, a small molecule inhibitor
Descriptor: (2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL, Wiskott-Aldrich syndrome protein
Authors:Peterson, J.R, Bickford, L.C, Morgan, D, Kim, A.S, Ouerfelli, O, Kirschner, M.W, Rosen, M.K.
Deposit date:2004-05-11
Release date:2004-07-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Chemical inhibition of N-WASP by stabilization of a native autoinhibited conformation.
Nat.Struct.Mol.Biol., 11, 2004
1QG7
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BU of 1qg7 by Molmil
STROMA CELL-DERIVED FACTOR-1ALPHA (SDF-1ALPHA)
Descriptor: STROMAL CELL-DERIVED FACTOR 1 ALPHA, SULFATE ION
Authors:Senda, T, Nandhagopal, N, Sugimoto, K, Mitsui, Y.
Deposit date:1999-04-21
Release date:2001-02-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of recombinant native SDF-1alpha with additional mutagenesis studies: an attempt at a more comprehensive interpretation of accumulated structure-activity relationship data.
J.Interferon Cytokine Res., 20, 2000
1QS2
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BU of 1qs2 by Molmil
CRYSTAL STRUCTURE OF VIP2 WITH NAD
Descriptor: ADP-RIBOSYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Han, S, Craig, J.A, Putnam, C.D, Carozzi, N.B, Tainer, J.A.
Deposit date:1999-06-25
Release date:1999-12-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Evolution and mechanism from structures of an ADP-ribosylating toxin and NAD complex.
Nat.Struct.Biol., 6, 1999
2PPZ
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BU of 2ppz by Molmil
NMR solution Structure of the Villin Headpiece Mutant G34L
Descriptor: Villin-1
Authors:Gronwald, W, Hohm, T, Hoffmann, D.
Deposit date:2007-05-01
Release date:2007-05-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Evolutionary Pareto-optimization of stably folding peptides
Bmc Bioinformatics, 9, 2008
1RUW
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BU of 1ruw by Molmil
Crystal structure of the SH3 domain from S. cerevisiae Myo3
Descriptor: IMIDAZOLE, Myosin-3 isoform
Authors:Kursula, P, Kursula, I, Lehmann, F, Song, Y.H, Wilmanns, M.
Deposit date:2003-12-12
Release date:2005-03-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the SH3 domain from S. cerevisiae Myo3
To be Published

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