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1C85
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BU of 1c85 by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 2-(OXALYL-AMINO)-BENZOIC ACID
Descriptor: 2-(OXALYL-AMINO)-BENZOIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B)
Authors:Andersen, H.S, Iversen, L.F, Branner, S, Rasmussen, H.B, Moller, N.P.
Deposit date:2000-04-16
Release date:2000-05-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:2-(oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatases.
J.Biol.Chem., 275, 2000
1C88
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CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B)
Authors:Iversen, L.F, Andersen, H.S, Mortensen, S.B, Moller, N.P.
Deposit date:2000-04-16
Release date:2000-05-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of protein-tyrosine phosphatase 1B.
J.Biol.Chem., 275, 2000
1C87
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BU of 1c87 by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 2-(OXALYL-AMINO-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID
Descriptor: 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B)
Authors:Iversen, L.F, Andersen, H.S, Mortensen, S.B, Moller, N.P.
Deposit date:2000-04-16
Release date:2000-05-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of protein-tyrosine phosphatase 1B.
J.Biol.Chem., 275, 2000
1C83
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BU of 1c83 by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID
Descriptor: 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B)
Authors:Andersen, H.S, Iversen, L.F, Branner, S, Rasmussen, H.B, Moller, N.P.
Deposit date:2000-04-14
Release date:2000-05-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:2-(oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatases.
J.Biol.Chem., 275, 2000
1C84
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BU of 1c84 by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXLIC ACID
Descriptor: 3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B)
Authors:Andersen, H.S, Iversen, L.F, Branner, S, Rasmussen, H.B, Moller, N.P.
Deposit date:2000-04-14
Release date:2000-05-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:2-(oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatases.
J.Biol.Chem., 275, 2000
1JAZ
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BU of 1jaz by Molmil
Crystal Structure of Monoclinic Form of D90E Mutant of Escherichia coli Asparaginase II
Descriptor: L-ASPARAGINASE II, ZINC ION
Authors:Borek, D, Kozak, M, Jaskolski, M.
Deposit date:2001-06-01
Release date:2003-09-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of active site mutant of antileukemic L-asparaginase reveals conserved zinc-binding site.
Febs J., 281, 2014
1JBZ
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BU of 1jbz by Molmil
CRYSTAL STRUCTURE ANALYSIS OF A DUAL-WAVELENGTH EMISSION GREEN FLUORESCENT PROTEIN VARIANT AT HIGH PH
Descriptor: 1,2-ETHANEDIOL, GREEN FLUORESCENT PROTEIN, MAGNESIUM ION
Authors:Hanson, G.T, McAnaney, T.B, Park, E.S, Rendell, M.E.P, Yarbrough, D.K, Chu, S, Xi, L, Boxer, S.G, Montrose, M.H, Remington, S.J.
Deposit date:2001-06-07
Release date:2003-01-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Green Fluorescent Protein Variants as Ratiometric Dual Emission pH Sensors. 1. Structural Characterization and Preliminary Application.
Biochemistry, 41, 2002
8RB6
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BU of 8rb6 by Molmil
Structure of Aldo-Keto Reductase 1C3 (AKR1C3) in complex with an inhibitor M689, with the 3-hydroxy-benzoisoxazole moiety. Resolution 2.0A
Descriptor: 1,2-ETHANEDIOL, 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol, Aldo-keto reductase family 1 member C3, ...
Authors:Frydenvang, K, Mirza, O.A.
Deposit date:2023-12-03
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided optimization of 3-hydroxybenzoisoxazole derivatives as inhibitors of Aldo-keto reductase 1C3 (AKR1C3) to target prostate cancer.
Eur.J.Med.Chem., 268, 2024
5HLV
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BU of 5hlv by Molmil
Crystal structure of calcium and zinc-bound human S100A8 in space group P212121
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Lin, H, Andersen, G.R, Yatime, L.
Deposit date:2016-01-15
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human S100A8 in complex with zinc and calcium.
Bmc Struct.Biol., 16, 2016
1D7D
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BU of 1d7d by Molmil
CYTOCHROME DOMAIN OF CELLOBIOSE DEHYDROGENASE, HP3 FRAGMENT, PH 7.5
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, CADMIUM ION, CELLOBIOSE DEHYDROGENASE, ...
Authors:Hallberg, B.M, Bergfors, T, Backbro, K, Divne, C.
Deposit date:1999-10-16
Release date:2000-10-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A new scaffold for binding haem in the cytochrome domain of the extracellular flavocytochrome cellobiose dehydrogenase.
Structure Fold.Des., 8, 2000
8RJ6
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BU of 8rj6 by Molmil
E. coli adenylate kinase in complex with ATP and AMP and Mg2+ as a result of enzymatic AP4A hydrolysis.
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
Deposit date:2023-12-20
Release date:2024-07-10
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Magnesium induced structural reorganization in the active site of adenylate kinase.
Sci Adv, 10, 2024
8RJ4
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BU of 8rj4 by Molmil
E. coli adenylate kinase in complex with two ADP molecules and Mg2+ as a result of enzymatic AP4A hydrolysis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, CHLORIDE ION, ...
Authors:Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
Deposit date:2023-12-20
Release date:2024-07-10
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Magnesium induced structural reorganization in the active site of adenylate kinase.
Sci Adv, 10, 2024
8UV0
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BU of 8uv0 by Molmil
Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
Descriptor: 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol, Cyclin-dependent kinase 2
Authors:Deller, M.C, Epling, L.B.
Deposit date:2023-11-02
Release date:2024-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of (4-Pyrazolyl)-2-aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2.
J.Med.Chem., 67, 2024
4X2C
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BU of 4x2c by Molmil
Clostridium difficile Fic protein_0569 mutant S31A, E35A
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fic family protein putative filamentation induced by cAMP protein, GLYCEROL, ...
Authors:Jorgensen, R, Dedic, E.
Deposit date:2014-11-26
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Clostridium difficile Fic_0569 S31A, E35A mutant at 1.8 Angstroms resolution
To Be Published
4X52
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BU of 4x52 by Molmil
Human PARP13 (ZC3HAV1), C-Terminal PARP Domain (H810N; N830Y variant)
Descriptor: GLYCEROL, SULFATE ION, Zinc finger CCCH-type antiviral protein 1
Authors:Karlberg, T, Thorsell, A.G, Klepsch, M, Schuler, H.
Deposit date:2014-12-04
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein.
J.Biol.Chem., 290, 2015
8U3N
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BU of 8u3n by Molmil
Structure of P450Blt from Micromonospora sp. MW-13
Descriptor: Cytochrome P450-SU1, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hansen, M.H, Cryle, M.J, Zhao, Y.
Deposit date:2023-09-08
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8U2M
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BU of 8u2m by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Biarylitide
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ACETATE ION, Cytochrome P450-SU1, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-09-06
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8UKZ
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BU of 8ukz by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation
Descriptor: ACETATE ION, Cytochrome P450-SU1, DI(HYDROXYETHYL)ETHER, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-10-15
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
6Y7U
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BU of 6y7u by Molmil
Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A A95P variant (CagFbFP)
Descriptor: FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase
Authors:Remeeva, A, Nazarenko, V, Kovalev, K, Gordeliy, V, Gushchin, I.
Deposit date:2020-03-02
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Effects of Proline Substitutions on the Thermostable LOV Domain from Chloroflexus aggregans
Crystals, 2020
7B24
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BU of 7b24 by Molmil
DtxR-like iron-dependent regulator IdeR (P39G variant) complexed with cobalt and its consensus DNA-binding sequence
Descriptor: COBALT (II) ION, DtxR family iron (Metal) dependent repressor, consensus DNA-binding sequence
Authors:Maurer, D, Marcos-Torres, F.J, Griese, J.J.
Deposit date:2020-11-26
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B1Y
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BU of 7b1y by Molmil
DtxR-like iron-dependent regulator IdeR complexed with cobalt and its consensus DNA-binding sequence
Descriptor: COBALT (II) ION, DtxR family iron (Metal) dependent repressor, consensus DNA-binding sequence
Authors:Maurer, D, Marcos-Torres, F.J, Griese, J.J.
Deposit date:2020-11-25
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B20
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BU of 7b20 by Molmil
DtxR-like iron-dependent regulator IdeR complexed with iron and its consensus DNA-binding sequence
Descriptor: DtxR family iron (Metal) dependent repressor, FE (II) ION, consensus DNA-binding sequence
Authors:Maurer, D, Marcos-Torres, F.J, Griese, J.J.
Deposit date:2020-11-25
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B23
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BU of 7b23 by Molmil
DtxR-like iron-dependent regulator IdeR complexed with cobalt and the SACE_2689 promoter DNA-binding sequence
Descriptor: COBALT (II) ION, DtxR family iron (Metal) dependent repressor, SACE_2689 promoter DNA-binding sequence
Authors:Maurer, D, Marcos-Torres, F.J, Griese, J.J.
Deposit date:2020-11-26
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
7B25
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BU of 7b25 by Molmil
DtxR-like iron-dependent regulator IdeR (Q43A variant) complexed with cobalt and its consensus DNA-binding sequence
Descriptor: COBALT (II) ION, DtxR family iron (Metal) dependent repressor, consensus DNA-binding sequence
Authors:Maurer, D, Marcos-Torres, F.J, Griese, J.J.
Deposit date:2020-11-26
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout.
Nucleic Acids Res., 49, 2021
8GHJ
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BU of 8ghj by Molmil
Crystal structure of human AQP2 T125M mutant
Descriptor: Aquaporin-2, CADMIUM ION
Authors:Horsefield, S, Hagstroemer, C.J.
Deposit date:2023-03-10
Release date:2023-09-20
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural and functional analysis of aquaporin-2 mutants involved in nephrogenic diabetes insipidus.
Sci Rep, 13, 2023

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