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1HPU
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BU of 1hpu by Molmil
5'-NUCLEOTIDASE (CLOSED FORM), COMPLEX WITH AMPCP
Descriptor: 5'-NUCLEOTIDASE, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Authors:Knoefel, T, Straeter, N.
Deposit date:2000-12-13
Release date:2002-03-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism of hydrolysis of phosphate esters by the dimetal center of 5'-nucleotidase based on crystal structures.
J.Mol.Biol., 309, 2001
3QNJ
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BU of 3qnj by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with the antimicrobial peptide oncocin
Descriptor: Chaperone protein DnaK, SULFATE ION, antimicrobial peptide oncocin
Authors:Zahn, M, Straeter, N.
Deposit date:2011-02-08
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Rational Design of Oncocin Derivatives with Superior Protease Stabilities and Antibacterial Activities Based on the High-Resolution Structure of the Oncocin-DnaK Complex.
Chembiochem, 12, 2011
1HP1
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BU of 1hp1 by Molmil
5'-NUCLEOTIDASE (OPEN FORM) COMPLEX WITH ATP
Descriptor: 5'-NUCLEOTIDASE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ...
Authors:Knoefel, T, Straeter, N.
Deposit date:2000-12-12
Release date:2002-03-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of hydrolysis of phosphate esters by the dimetal center of 5'-nucleotidase based on crystal structures.
J.Mol.Biol., 309, 2001
4R3U
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BU of 4r3u by Molmil
Crystal structure of 2-Hydroxyisobutyryl-CoA Mutase
Descriptor: 2-hydroxyisobutyryl-CoA mutase large subunit, 2-hydroxyisobutyryl-CoA mutase small subunit, 3-HYDROXYBUTANOYL-COENZYME A, ...
Authors:Zahn, M, Kurteva-Yaneva, N, Rohwerder, T, Straeter, N.
Deposit date:2014-08-18
Release date:2015-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of the stereospecificity of bacterial B12-dependent 2-hydroxyisobutyryl-CoA mutase.
J.Biol.Chem., 290, 2015
6SJU
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BU of 6sju by Molmil
Human kallikrein 7 with aromatic coumarinic ester compound 3 covalently bound to H57
Descriptor: (3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Kallikrein-7, ...
Authors:Hanke, S, Straeter, N.
Deposit date:2019-08-13
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7.
J.Med.Chem., 63, 2020
6SHI
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BU of 6shi by Molmil
Human kallikrein 7 with aromatic coumarinic ester compound 2 covalently bound to H57
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-methyl-2-oxidanylidene-chromene-3-carboxylic acid, Kallikrein-7, ...
Authors:Hanke, S, Straeter, N.
Deposit date:2019-08-06
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7.
J.Med.Chem., 63, 2020
6SHH
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BU of 6shh by Molmil
Human kallikrein 7 with aromatic coumarinic ester compound 1 covalently bound to H57
Descriptor: (3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Kallikrein-7, ...
Authors:Hanke, S, Straeter, N.
Deposit date:2019-08-06
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7.
J.Med.Chem., 63, 2020
8B55
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BU of 8b55 by Molmil
Human ADGRG4 PTX-like domain
Descriptor: Adhesion G-protein coupled receptor G4, MAGNESIUM ION
Authors:Kieslich, B, Straeter, N.
Deposit date:2022-09-21
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:The dimerized pentraxin-like domain of the adhesion G protein-coupled receptor 112 (ADGRG4) suggests function in sensing mechanical forces.
J.Biol.Chem., 299, 2023
2BJ6
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BU of 2bj6 by Molmil
Crystal Structure of a decameric HNA-RNA hybrid
Descriptor: 5'-R(*GP*GP*CP*AP*UP*UP*AP*CP*GP*GP)-3', SULFATE ION, SYNTHETIC HNA
Authors:Maier, T, Przylas, I, Straeter, N, Herdewijn, P, Saenger, W.
Deposit date:2005-01-30
Release date:2005-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Reinforced Hna Backbone Hydration in the Crystal Structure of a Decameric Hna/RNA Hybrid
J.Am.Chem.Soc., 127, 2005
4OMT
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BU of 4omt by Molmil
Crystal structure of human muscle phosphofructokinase (dissociated homodimer)
Descriptor: 6-phosphofructokinase, muscle type
Authors:Kloos, M, Straeter, N.
Deposit date:2014-01-27
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (6 Å)
Cite:Crystallization and preliminary crystallographic analysis of human muscle phosphofructokinase, the main regulator of glycolysis.
Acta Crystallogr F Struct Biol Commun, 70, 2014
8CIC
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BU of 8cic by Molmil
Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with clinical candidate Etrumadenant
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, ...
Authors:Cheng, R.K.Y, Markovic-Mueller, S, Hennig, M.
Deposit date:2023-02-09
Release date:2023-05-31
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Crystal structure of adenosine A 2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction.
Commun Chem, 6, 2023
4RH3
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BU of 4rh3 by Molmil
AMPPCP-bound structure of human platelet phosphofructokinase in an R-state, crystal form II
Descriptor: ATP-dependent 6-phosphofructokinase, platelet type, PHOSPHATE ION, ...
Authors:Kloos, M.
Deposit date:2014-10-01
Release date:2015-06-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Biochem.J., 469, 2015
4E81
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BU of 4e81 by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with a short apidaecin peptide
Descriptor: Chaperone protein DnaK, SULFATE ION, apidaecin peptide fragment
Authors:Zahn, M, Straeter, N.
Deposit date:2012-03-19
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Api88 is a novel antibacterial designer Peptide to treat systemic infections with multidrug-resistant gram-negative pathogens.
Acs Chem.Biol., 7, 2012
4JWI
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BU of 4jwi by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with sheep Bac7(35-43)
Descriptor: Cathelicidin-3, Chaperone protein DnaK, SULFATE ION
Authors:Zahn, M, Straeter, N.
Deposit date:2013-03-27
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Identification of DnaK Binding Sites within Bovine and Sheep Bactenecin Bac7.
Protein Pept.Lett., 21, 2014
4JWC
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BU of 4jwc by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with bovine Bac7(1-16)
Descriptor: Cathelicidin-3, Chaperone protein DnaK, SULFATE ION
Authors:Zahn, M, Straeter, N.
Deposit date:2013-03-27
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Identification of DnaK Binding Sites within Bovine and Sheep Bactenecin Bac7.
Protein Pept.Lett., 21, 2014
4JWE
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BU of 4jwe by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with sheep Bac7(1-21)
Descriptor: Cathelicidin-3, Chaperone protein DnaK, SULFATE ION
Authors:Zahn, M, Straeter, N.
Deposit date:2013-03-27
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Identification of DnaK Binding Sites within Bovine and Sheep Bactenecin Bac7.
Protein Pept.Lett., 21, 2014
3ZX2
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BU of 3zx2 by Molmil
NTPDase1 in complex with Decavanadate
Descriptor: ACETIC ACID, CHLORIDE ION, DECAVANADATE, ...
Authors:Zebisch, M, Schaefer, P, Straeter, N.
Deposit date:2011-08-04
Release date:2011-11-30
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystallographic Evidence for a Domain Motion in Rat Nucleoside Triphosphate Diphosphohydrolase (Ntpdase) 1.
J.Mol.Biol., 415, 2012
3ZX3
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BU of 3zx3 by Molmil
Crystal Structure and Domain Rotation of NTPDase1 CD39
Descriptor: ACETIC ACID, CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1, ...
Authors:Zebisch, M, Schaefer, P, Straeter, N.
Deposit date:2011-08-04
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic Evidence for a Domain Motion in Rat Nucleoside Triphosphate Diphosphohydrolase (Ntpdase) 1.
J.Mol.Biol., 415, 2012
3ZX0
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BU of 3zx0 by Molmil
NTPDase1 in complex with Heptamolybdate
Descriptor: ACETIC ACID, CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1, ...
Authors:Zebisch, M, Schaefer, P, Straeter, N.
Deposit date:2011-08-04
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic evidence for a domain motion in rat nucleoside triphosphate diphosphohydrolase (NTPDase) 1.
J. Mol. Biol., 415, 2012
4BVP
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BU of 4bvp by Molmil
Legionella pneumophila NTPDase1 crystal form II (closed) in complex with heptamolybdate and octamolybdate
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Zebisch, M, Schaefer, P, Straeter, N.
Deposit date:2013-06-27
Release date:2014-02-12
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structures of Legionella Pneumophila Ntpdase1 in Complex with Polyoxometallates.
Acta Crystallogr.,Sect.D, 70, 2014
4CG3
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BU of 4cg3 by Molmil
Structural and functional studies on a thermostable polyethylene therephtalate degrading hydrolase from Thermobifida fusca
Descriptor: CUTINASE, SULFATE ION
Authors:Roth, C, Wei, R, Oeser, T, Then, J, Foellner, C, Zimmermann, W, Straeter, N.
Deposit date:2013-11-20
Release date:2014-06-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and Functional Studies on a Thermostable Polyethylene Terephthalate Degrading Hydrolase from Thermobifida Fusca.
Appl.Microbiol.Biotechnol., 98, 2014
4DGJ
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BU of 4dgj by Molmil
Structure of a human enteropeptidase light chain variant
Descriptor: Enteropeptidase catalytic light chain
Authors:Zahn, M, Simeonov, P, Straeter, N.
Deposit date:2012-01-26
Release date:2012-04-18
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a supercharged variant of the human enteropeptidase light chain.
Proteins, 80, 2012
4CD1
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BU of 4cd1 by Molmil
RnNTPDase2 in complex with PSB-071
Descriptor: 1-AMINO-4-(3-METHYLPHENYL)AMINO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2
Authors:Zebisch, M, Schaefer, P, Straeter, N.
Deposit date:2013-10-29
Release date:2014-02-12
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Ntpdase2 in Complex with the Sulfoanthraquinone Inhibitor Psb-071.
J.Struct.Biol., 185, 2014
4BVO
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BU of 4bvo by Molmil
Legionella pneumophila NTPDase1 crystal form VI (part-open) in complex with polytungstate POM-1
Descriptor: 12-POLYTUNGSTATE, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, L(+)-TARTARIC ACID, ...
Authors:Zebisch, M, Schaefer, P, Straeter, N.
Deposit date:2013-06-27
Release date:2014-02-12
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of Legionella Pneumophila Ntpdase1 in Complex with Polyoxometallates.
Acta Crystallogr.,Sect.D, 70, 2014
4BRH
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BU of 4brh by Molmil
Legionella pneumophila NTPDase1 crystal form II (closed) in complex with MG AND THIAMINE PHOSPHOVANADATE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DECAVANADATE, ...
Authors:Zebisch, M, Schaefer, P, Lauble, P, Straeter, N.
Deposit date:2013-06-04
Release date:2013-07-17
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystallographic snapshots along the reaction pathway of nucleoside triphosphate diphosphohydrolases.
Structure, 21, 2013

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