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6LU6
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BU of 6lu6 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound
Descriptor: 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
Deposit date:2020-01-26
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.970063 Å)
Cite:Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
1QQK
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BU of 1qqk by Molmil
THE CRYSTAL STRUCTURE OF FIBROBLAST GROWTH FACTOR 7 (KERATINOCYTE GROWTH FACTOR)
Descriptor: FIBROBLAST GROWTH FACTOR 7
Authors:Ye, S, Luo, Y, Pelletier, H, McKeehan, W.L.
Deposit date:1999-06-07
Release date:2000-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for interaction of FGF-1, FGF-2, and FGF-7 with different heparan sulfate motifs.
Biochemistry, 40, 2001
7F5D
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BU of 7f5d by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-03 bound
Descriptor: 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.57150865 Å)
Cite:Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
7F5E
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BU of 7f5e by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-11 bound
Descriptor: N,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.20017123 Å)
Cite:Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
7F5C
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BU of 7f5c by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-07 bound
Descriptor: 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65004492 Å)
Cite:Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
3NCQ
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BU of 3ncq by Molmil
GlnK2 from Archaeoglobus fulgidus, ATP complex
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A.
Deposit date:2010-06-05
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus.
J.Mol.Biol., 402, 2010
3NCR
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BU of 3ncr by Molmil
GlnK2 from Archaeoglubus fulgidus, ADP complex
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A.
Deposit date:2010-06-05
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus.
J.Mol.Biol., 402, 2010
3NCP
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BU of 3ncp by Molmil
GlnK2 from Archaeoglobus fulgidus
Descriptor: CHLORIDE ION, Nitrogen regulatory protein P-II (GlnB-2)
Authors:Helfmann, S, Lue, W, Litz, C, Andrade, S.L.A.
Deposit date:2010-06-05
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Cooperative binding of MgATP and MgADP in the trimeric P(II) protein GlnK2 from Archaeoglobus fulgidus.
J.Mol.Biol., 402, 2010
4FNV
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BU of 4fnv by Molmil
Crystal Structure of Heparinase III
Descriptor: Heparinase III protein, heparitin sulfate lyase
Authors:Dong, W, Ye, S.
Deposit date:2012-06-20
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of heparan sulfate-specific degradation by heparinase III.
Protein Cell, 3, 2012
5VK0
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BU of 5vk0 by Molmil
Crystal structure of human MDM2 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-04-20
Release date:2018-04-25
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
5VK1
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BU of 5vk1 by Molmil
Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Descriptor: Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI, Protein Mdm4
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-04-20
Release date:2018-04-25
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
4LB1
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BU of 4lb1 by Molmil
Crystal structure of human alpha-defensin 1 (HNP1) Y16A/F28A mutant
Descriptor: Neutrophil defensin 1
Authors:Tolbert, W.D, Wu, X, Pazgier, M.
Deposit date:2013-06-20
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
4LBB
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BU of 4lbb by Molmil
Crystal structure of human alpha-defensin 1 (HNP1) I20A mutant
Descriptor: CHLORIDE ION, Neutrophil defensin 1
Authors:Tolbert, W.D, Wu, X, Pazgier, M.
Deposit date:2013-06-20
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.719 Å)
Cite:Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
4LB7
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BU of 4lb7 by Molmil
Crystal structure of human alpha-defensin 1 (HNP1) Y16A/I20A/L25A/F28A mutant.
Descriptor: Neutrophil defensin 1
Authors:Tolbert, W.D, Wu, X, Pazgier, M.
Deposit date:2013-06-20
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
4LBF
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BU of 4lbf by Molmil
Crystal structure of HUMAN ALPHA-DEFENSIN 1 (HNP1) I20A/L25A mutant
Descriptor: GLYCEROL, Neutrophil defensin 1
Authors:Tolbert, W.D, Wu, X, Pazgier, M.
Deposit date:2013-06-20
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
7VD4
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BU of 7vd4 by Molmil
Crystal structure of BPTF-BRD with ligand TP248 bound
Descriptor: 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B.
Deposit date:2021-09-06
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85659146 Å)
Cite:Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold.
Bioorg.Chem., 123, 2022
6KX2
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BU of 6kx2 by Molmil
Crystal structure of GDP bound RhoA protein
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
3T2G
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BU of 3t2g by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, Y229F variant with DHAP
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
Authors:Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
Deposit date:2011-07-22
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
7QBA
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BU of 7qba by Molmil
CryoEM structure of the ABC transporter NosDFY complexed with nitrous oxide reductase NosZ
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Zipfel, S, Mueller, C, Topitsch, A, Lutz, M, Zhang, L, Einsle, O.
Deposit date:2021-11-18
Release date:2022-08-03
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
3T2D
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BU of 3t2d by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, FBP-bound form
Descriptor: 1,6-di-O-phosphono-D-fructose, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
Authors:Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
Deposit date:2011-07-22
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
3T9Z
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BU of 3t9z by Molmil
A. fulgidus GlnK3, ligand-free
Descriptor: CITRATE ANION, Nitrogen regulatory protein P-II (GlnB-3)
Authors:Maier, S, Schleberger, P, Lue, W, Wacker, T, Pflueger, T, Litz, C, Andrade, S.L.A.
Deposit date:2011-08-03
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Mechanism of disruption of the Amt-GlnK complex by P(II)-mediated sensing of 2-oxoglutarate.
Plos One, 6, 2011
3TA1
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BU of 3ta1 by Molmil
A. fulgidus GlnK3, MgADP complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Nitrogen regulatory protein P-II (GlnB-3)
Authors:Maier, S, Schleberger, P, Lue, W, Wacker, T, Pflueger, T, Litz, C, Andrade, S.L.A.
Deposit date:2011-08-03
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of disruption of the Amt-GlnK complex by P(II)-mediated sensing of 2-oxoglutarate.
Plos One, 6, 2011
3TA0
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BU of 3ta0 by Molmil
A. fulgidus GlnK3, MgATP complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II (GlnB-3)
Authors:Maier, S, Schleberger, P, Lue, W, Wacker, T, Pflueger, T, Litz, C, Andrade, S.L.A.
Deposit date:2011-08-03
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of disruption of the Amt-GlnK complex by P(II)-mediated sensing of 2-oxoglutarate.
Plos One, 6, 2011
3T2C
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BU of 3t2c by Molmil
Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, DHAP-bound form
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION
Authors:Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O.
Deposit date:2011-07-22
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011

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