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7Q76
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BU of 7q76 by Molmil
Room temperature structure of RNase A at 22 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q79
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BU of 7q79 by Molmil
Room temperature structure of RNase A at 100 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q75
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BU of 7q75 by Molmil
Room temperature structure of RNase A at atmospheric pressure
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q78
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BU of 7q78 by Molmil
Room temperature structure of RNase A at 72 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
8AVB
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BU of 8avb by Molmil
Cryo-EM structure for mouse leptin in complex with the mouse LEP-R ectodomain (1:2 mLEP:mLEPR model).
Descriptor: Leptin, Leptin receptor
Authors:Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A.
Deposit date:2022-08-26
Release date:2023-04-05
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (4.43 Å)
Cite:Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
7Q7B
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BU of 7q7b by Molmil
Room temperature structure of RNase A at atmospheric pressure in a sapphire capillary after high helium gas pressure release
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7D
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BU of 7q7d by Molmil
Room temperature structure of the human Serine/Threonine Kinase 17B (STK17B/DRAK2) in complex with ATP/ADP at 111 MPa helium gas pressure in a sapphire capillary
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase 17B
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
4MET
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BU of 4met by Molmil
Assigning the EPR Fine Structure Parameters of the Mn(II) Centers in Bacillus subtilis Oxalate Decarboxylase by Site-Directed Mutagenesis and DFT/MM Calculations
Descriptor: COBALT (II) ION, Oxalate decarboxylase OxdC
Authors:Campomanes, P, Kellett, W.F, Easthon, L.M, Ozarowski, A, Allen, K.N, Angerhofer, A, Rothlisberger, U, Richards, N.G.J.
Deposit date:2013-08-27
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Assigning the EPR Fine Structure Parameters of the Mn(II) Centers in Bacillus subtilis Oxalate Decarboxylase by Site-Directed Mutagenesis and DFT/MM Calculations.
J.Am.Chem.Soc., 136, 2014
5N9Y
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BU of 5n9y by Molmil
The full-length structure of ZntB
Descriptor: Zinc transport protein ZntB
Authors:Cornelius, G, Stetsenko, A, Scheres, S.H.W, Slotboom, D.J, Guskov, A.
Deposit date:2017-02-27
Release date:2017-11-15
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:The structural basis of proton driven zinc transport by ZntB.
Nat Commun, 8, 2017
7Q7E
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BU of 7q7e by Molmil
Room temperature structure of the human Serine/Threonine Kinase 17B (STK17B/DRAK2) in complex with ATP/ADP at atmospheric pressure in a sapphire capillary after high helium gas pressure release
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase 17B
Authors:Lieske, J, Guenther, S, Saouane, S, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published
2WR9
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BU of 2wr9 by Molmil
CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA LECTIN (BCLA) COMPLEXED WITH AMAN1-3MAN DISACCHARIDE
Descriptor: CALCIUM ION, LECTIN, SULFATE ION, ...
Authors:Lameignere, E, Shiao, T.C, Roy, R, Wimmerova, M, Dubreuil, F, Varrot, A, Imberty, A.
Deposit date:2009-09-01
Release date:2009-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis of the Affinity for Oligomannosides and Analogs Displayed by Bc2L-A, a Burkholderia Cenocepacia Soluble Lectin.
Glycobiology, 20, 2010
5NCR
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BU of 5ncr by Molmil
OH1 from the Orf virus: a tyrosine phosphatase that displays distinct structural features and triple substrate specificity
Descriptor: PHOSPHATE ION, SULFATE ION, tyrosine phosphatase
Authors:Segovia, D, Haouz, A, Berois, M, Villarino, A, Andre-Leroux, G.
Deposit date:2017-03-06
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:OH1 from Orf Virus: A New Tyrosine Phosphatase that Displays Distinct Structural Features and Triple Substrate Specificity.
J. Mol. Biol., 429, 2017
6YVE
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BU of 6yve by Molmil
Glycogen phosphorylase b in complex with pelargonidin 3-O-beta-D-glucoside
Descriptor: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
Authors:Drakou, C.E, Gardeli, C, Tsialtas, I, Alexopoulos, S, Mallouchos, A, Koulas, S, Tsagkarakou, A, Asimakopoulos, D, Leonidas, D.D, Psarra, A.M, Skamnaki, V.T.
Deposit date:2020-04-28
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Affinity Crystallography Reveals Binding of Pomegranate Juice Anthocyanins at the Inhibitor Site of Glycogen Phosphorylase: The Contribution of a Sugar Moiety to Potency and Its Implications to the Binding Mode.
J.Agric.Food Chem., 68, 2020
2WTU
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BU of 2wtu by Molmil
Crystal structure of Escherichia coli MutS in complex with a 16 basepair oligo containing an A.A mismatch.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DNA, ...
Authors:Natrajan, G, Lebbink, J.H, Reumer, A, Fish, A, Winterwerp, H.H, Sixma, T.K.
Deposit date:2009-09-22
Release date:2010-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Magnesium coordination controls the molecular switch function of DNA mismatch repair protein MutS.
J. Biol. Chem., 285, 2010
8ATE
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BU of 8ate by Molmil
Galacturonic acid oxidase from Citrus sinensis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Boverio, A, Savino, S, Fraaije, M.W, Loncar, N.
Deposit date:2022-08-23
Release date:2023-09-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Biochemical and Structural Characterization of a Uronic Acid Oxidase from Citrus sinensis
Chemcatchem, 2023
8AU3
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BU of 8au3 by Molmil
c-MET Y1234E,Y1235E mutant in complex with Tepotinib
Descriptor: 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, DI(HYDROXYETHYL)ETHER, Hepatocyte growth factor receptor, ...
Authors:Graedler, U, Lammens, A.
Deposit date:2022-08-25
Release date:2023-09-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
1RZD
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BU of 1rzd by Molmil
X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES
Descriptor: CARBONIC ANHYDRASE II, MANGANESE (II) ION, SULFATE ION
Authors:Hakansson, K, Wehnert, A, Liljas, A.
Deposit date:1993-05-25
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray analysis of metal-substituted human carbonic anhydrase II derivatives.
Acta Crystallogr.,Sect.D, 50, 1994
8AU5
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BU of 8au5 by Molmil
c-MET F1200I mutant in complex with Tepotinib
Descriptor: 1,2-ETHANEDIOL, 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, CHLORIDE ION, ...
Authors:Graedler, U, Lammens, A.
Deposit date:2022-08-25
Release date:2023-09-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
4L6B
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BU of 4l6b by Molmil
Endothiapepsin in complex with thiophen-based inhibitor SAP128
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
Authors:Park, A, Heine, A, Klebe, G.
Deposit date:2013-06-12
Release date:2014-06-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Endothiapepsin in Complex with Thiophen based Inhibitors
To be Published
8AW1
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BU of 8aw1 by Molmil
c-MET Y1235D mutant in complex with Tepotinib
Descriptor: 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, Hepatocyte growth factor receptor
Authors:Graedler, U, Lammens, A.
Deposit date:2022-08-29
Release date:2023-09-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
1JNR
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BU of 1jnr by Molmil
Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6 resolution
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IRON/SULFUR CLUSTER, ...
Authors:Fritz, G, Roth, A, Schiffer, A, Buechert, T, Bourenkov, G, Bartunik, H.D, Huber, H, Stetter, K.O, Kroneck, P.M.H, Ermler, U.
Deposit date:2001-07-25
Release date:2002-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
5JQ0
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BU of 5jq0 by Molmil
Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH=8.7
Descriptor: 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, Esposito, D, Di Fiore, A, De Simone, G.
Deposit date:2016-05-04
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
5N30
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BU of 5n30 by Molmil
Crystal structure of the V72I mutant of the mouse alpha-Dystroglycan N-terminal region
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dystroglycan
Authors:Cassetta, A, Covaceuszach, S, Brancaccio, A, Sciandra, F, Bozzi, M, Bigotti, M.G, Konarev, P.V.
Deposit date:2017-02-08
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The effect of the pathological V72I, D109N and T190M missense mutations on the molecular structure of alpha-dystroglycan.
PLoS ONE, 12, 2017
2VQW
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BU of 2vqw by Molmil
Structure of inhibitor-free HDAC4 catalytic domain (with gain-of- function mutation His332Tyr)
Descriptor: HISTONE DEACETYLASE 4, POTASSIUM ION, ZINC ION
Authors:Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A.
Deposit date:2008-03-19
Release date:2008-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Structural Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
2VQM
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BU of 2vqm by Molmil
Structure of HDAC4 catalytic domain bound to a hydroxamic acid inhbitor
Descriptor: HISTONE DEACETYLASE 4, N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide, POTASSIUM ION, ...
Authors:Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A.
Deposit date:2008-03-17
Release date:2008-07-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain.
J.Biol.Chem., 283, 2008

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