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5FCP
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BU of 5fcp by Molmil
X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND CISPLATIN AT LONG INCUBATION TIMES
Descriptor: CHLORIDE ION, Cisplatin, GLYCEROL, ...
Authors:Russo Krauss, I, Ferraro, G, Pica, A, Merlino, A.
Deposit date:2015-12-15
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Effect of temperature on the interaction of cisplatin with the model protein hen egg white lysozyme.
J.Biol.Inorg.Chem., 21, 2016
7BF8
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BU of 7bf8 by Molmil
Mutant I56F of recombinant bovine beta-lactoglobulin in complex with tetracaine
Descriptor: Beta-lactoglobulin, SULFATE ION, Tetracaine
Authors:Loch, J.I, Kaczor, K, Lewinski, K.
Deposit date:2021-01-01
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7QEW
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BU of 7qew by Molmil
human Connexin 26 class 2 hexamer at 90mmHg PCO2, pH7.4
Descriptor: DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
Authors:Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J.
Deposit date:2021-12-03
Release date:2022-03-30
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
7QET
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BU of 7qet by Molmil
human Connexin 26 dodecamer at 20mmHg PCO2, pH7.4
Descriptor: DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
Authors:Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J.
Deposit date:2021-12-03
Release date:2022-03-30
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
7QEY
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BU of 7qey by Molmil
human Connexin 26 class 1 hexamer at 90mmHg PCO2, pH7.4
Descriptor: DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
Authors:Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J.
Deposit date:2021-12-03
Release date:2022-03-30
Last modified:2022-11-09
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
5FFH
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BU of 5ffh by Molmil
Crystal structure of the Q108K:K40L:T51V:R58W:Y19W mutant of human Cellular Retinol Binding Protein II in complex with All-trans-Retinal at 1.68 Angstrom Resolution
Descriptor: ACETATE ION, RETINAL, Retinol-binding protein 2
Authors:Nossoni, Z, Nosrati, M, Geiger, J.H.
Deposit date:2015-12-18
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of the Q108K:K40L:T51V:R58W:Y19W mutant of human Cellular Retinol Binding ProteinII in complex with All-trans-Retinal at 1.68 Angstrom Resolution
To Be Published
5FPE
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BU of 5fpe by Molmil
Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 1H-1,2,4-triazol-3-amine (AT485) in an alternate binding site.
Descriptor: 3-AMINO-1,2,4-TRIAZOLE, HEAT SHOCK-RELATED 70KDA PROTEIN 2
Authors:Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M.
Deposit date:2015-11-28
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
4TJZ
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BU of 4tjz by Molmil
The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with capric acid
Descriptor: DECANOIC ACID, Fatty acid-binding protein, heart, ...
Authors:Sugiyama, S, Matsuoka, S, Mizohata, E, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
Deposit date:2014-05-25
Release date:2015-01-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.87 Å)
Cite:Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
8CDW
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BU of 8cdw by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 7-(1-methyl-1H-pyrazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)phenyl]quinazolin-2-amine
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine
Authors:Musil, D, Toure, M.
Deposit date:2023-02-01
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
4TMV
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BU of 4tmv by Molmil
Translation initiation factor eIF5B (517-858) from C. thermophilum, bound to GTPgammaS and Sodium
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Kuhle, B, Ficner, R.
Deposit date:2014-06-02
Release date:2014-09-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:A monovalent cation acts as structural and catalytic cofactor in translational GTPases.
Embo J., 33, 2014
7BF7
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BU of 7bf7 by Molmil
Mutant L58F of recombinant bovine beta-lactoglobulin in complex with tetracaine
Descriptor: Beta-lactoglobulin, SULFATE ION, Tetracaine
Authors:Loch, J.I, Kaczor, K, Lewinski, K.
Deposit date:2021-01-01
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7BRY
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BU of 7bry by Molmil
Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Room Temperature)
Descriptor: 2-(6-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS5
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BU of 7bs5 by Molmil
Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Cryo)
Descriptor: 2-(6-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
4RLN
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BU of 4rln by Molmil
Hen egg-white lysozyme solved from serial crystallography at a synchrotron source, data processed with nXDS
Descriptor: Lysozyme C
Authors:Botha, S, Nass, K, Barends, T, Kabsch, W, Latz, B, Dworkowski, F, Foucar, L, Panepucci, E, Wang, M, Shoeman, R, Schlichting, I, Doak, R.B.
Deposit date:2014-10-17
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Room-temperature serial crystallography at synchrotron X-ray sources using slowly flowing free-standing high-viscosity microstreams.
Acta Crystallogr.,Sect.D, 71, 2015
7BGA
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BU of 7bga by Molmil
Mutant F105A of recombinant beta-lactoglobulin in complex with endogenous ligand
Descriptor: Beta-lactoglobulin, LAURIC ACID, SULFATE ION
Authors:Loch, J.I, Lazinska, I, Lewinski, K.
Deposit date:2021-01-06
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
4TU7
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BU of 4tu7 by Molmil
Structure of U2AF65 D231V variant with BrU5 DNA
Descriptor: 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*UP*UP*UP*(BRU)P*UP*U)-3'), GLYCEROL, ...
Authors:Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2014-06-24
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Structure-guided U2AF65 variant improves recognition and splicing of a defective pre-mRNA.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RPV
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BU of 4rpv by Molmil
co-crystal structure of Pim1 with compound 3
Descriptor: (3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine, Serine/threonine-protein kinase pim-1
Authors:Huang, X.
Deposit date:2014-10-31
Release date:2015-02-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
7BS1
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BU of 7bs1 by Molmil
Bovine Pancreatic Trypsin with benzamidine (Room Temperature)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS9
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BU of 7bs9 by Molmil
Bovine Pancreatic Trypsin with serotonin (Cryo)
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
4RQV
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BU of 4rqv by Molmil
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS2
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Rettenmaier, T.J, Wells, J.A.
Deposit date:2014-11-05
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
8CNN
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BU of 8cnn by Molmil
BeF3 Phospho-HRas GSA complex
Descriptor: ACETATE ION, BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2023-02-23
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
8CNJ
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BU of 8cnj by Molmil
HRas(1-166) in complex with GDP and BeF3-
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BERYLLIUM TRIFLUORIDE ION, GTPase HRas, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2023-02-23
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
6WCY
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BU of 6wcy by Molmil
N160D Deamidation Mutant of Human gammaD-Crystallin
Descriptor: Gamma-crystallin D, SULFATE ION
Authors:Whitley, M.J, Rathi, N, Ambarian, M, Gronenborn, A.M.
Deposit date:2020-03-31
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.204 Å)
Cite:Assessing the Structures and Interactions of gamma D-Crystallin Deamidation Variants.
Structure, 29, 2021
4RTX
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BU of 4rtx by Molmil
Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src, ...
Authors:Camara-Artigas, A.
Deposit date:2014-11-16
Release date:2015-10-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant
To be Published
4RUG
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BU of 4rug by Molmil
Cyrstal structure of SLIT-ROBO Rho GTPase-activating protein 2 fragment
Descriptor: SLIT-ROBO Rho GTPase-activating protein 2
Authors:Opatowsky, Y, Guez-Hadad, J.
Deposit date:2014-11-19
Release date:2015-11-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The Neuronal Migration Factor srGAP2 Achieves Specificity in Ligand Binding through a Two-Component Molecular Mechanism.
Structure, 23, 2015

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