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2JKY
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BU of 2jky by Molmil
SACCHAROMYCES CEREVISIAE HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH GMP (GUANOSINE 5'- MONOPHOSPHATE) (TETRAGONAL CRYSTAL FORM)
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Moynie, L, Giraud, M.F, Breton, A, Boissier, F, Daignan-Fornier, B, Dautant, A.
Deposit date:2008-09-02
Release date:2009-11-17
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Functional Significance of Four Successive Glycine Residues in the Pyrophosphate Binding Loop of Fungal 6-Oxopurine Phosphoribosyltransferases.
Protein Sci., 21, 2012
2XBU
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BU of 2xbu by Molmil
Saccharomyces cerevisiae hypoxanthine-guanine phosphoribosyltransferase in complex with GMP (monoclinic crystal form)
Descriptor: ACETATE ION, GUANOSINE-5'-MONOPHOSPHATE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ...
Authors:Moynie, L, Giraud, M.F, Breton, A, Boissier, F, Daignan-Fornier, B, Dautant, A.
Deposit date:2010-04-15
Release date:2011-05-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Functional Significance of Four Successive Glycine Residues in the Pyrophosphate Binding Loop of Fungal 6-Oxopurine Phosphoribosyltransferases.
Protein Sci., 21, 2012
6GPX
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BU of 6gpx by Molmil
CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812
Descriptor: C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2, OLEIC ACID, ZINC ION, ...
Authors:Pautsch, A, Schnapp, G, Cheng, R, Apel, A.
Deposit date:2018-06-07
Release date:2019-01-02
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides Insights for the Design of Selective Antagonists.
Structure, 27, 2019
6GPS
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BU of 6gps by Molmil
CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812
Descriptor: C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2, ZINC ION, [(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium
Authors:Pautsch, A, Schnapp, G.
Deposit date:2018-06-07
Release date:2019-01-02
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides Insights for the Design of Selective Antagonists.
Structure, 27, 2019
3NAX
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BU of 3nax by Molmil
PDK1 in complex with inhibitor MP7
Descriptor: 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1
Authors:Yan, Y, Munshi, S.K, Allison, T.
Deposit date:2010-06-02
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor.
J.Biol.Chem., 286, 2011
4EPC
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BU of 4epc by Molmil
Crystal structure of Autolysin repeat domains from Staphylococcus epidermidis
Descriptor: N-acetylmuramoyl-L-alanine amidase
Authors:Zoll, S, Stehle, T.
Deposit date:2012-04-17
Release date:2012-06-06
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ligand-binding properties and conformational dynamics of autolysin repeat domains in staphylococcal cell wall recognition.
J.Bacteriol., 194, 2012
3RWQ
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BU of 3rwq by Molmil
Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1)
Descriptor: 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Kazmirski, S, Kohls, D.
Deposit date:2011-05-09
Release date:2011-11-16
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
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
4BRE
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BU of 4bre by Molmil
Legionella pneumophila NTPDase1 crystal form II (closed) in complex with transition state mimic adenosine 5'phosphovanadate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-PHOSPHOVANADATE, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, ...
Authors:Zebisch, M, Schaefer, P, Lauble, P, Straeter, N.
Deposit date:2013-06-04
Release date:2013-07-17
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Structure, 21, 2013
4BRA
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BU of 4bra by Molmil
Legionella pneumophila NTPDase1 crystal form II, closed, Mg AMPPNP complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, GLYCEROL, ...
Authors:Zebisch, M, Schaefer, P, Lauble, P, Straeter, N.
Deposit date:2013-06-04
Release date:2013-07-17
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Structure, 21, 2013
4BR2
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BU of 4br2 by Molmil
rat NTPDase2 in complex with Ca UMPPNP
Descriptor: 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine, CALCIUM ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2, ...
Authors:Zebisch, M, Schaefer, P, Lauble, P, Straeter, N.
Deposit date:2013-06-03
Release date:2013-07-17
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Structure, 21, 2013
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
4BR0
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BU of 4br0 by Molmil
rat NTPDase2 in complex with Ca AMPNP
Descriptor: 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine, CALCIUM ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2, ...
Authors:Zebisch, M, Schaefer, P, Lauble, P, Straeter, N.
Deposit date:2013-06-03
Release date:2013-07-17
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Structure, 21, 2013
4BRC
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BU of 4brc by Molmil
Legionella pneumophila NTPDase1 crystal form II, closed, Mg AMPNP complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine, CHLORIDE ION, ...
Authors:Zebisch, M, Schaefer, P, Lauble, P, Straeter, N.
Deposit date:2013-06-04
Release date:2013-07-17
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Structure, 21, 2013
4BRK
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BU of 4brk by Molmil
Legionella pneumophila NTPDase1 N302Y variant crystal form III (closed) in complex with MG UMPPNP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine, CHLORIDE ION, ...
Authors:Zebisch, M, Schaefer, P, Lauble, P, Straeter, N.
Deposit date:2013-06-04
Release date:2013-07-17
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Structure, 21, 2013
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
4A5B
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BU of 4a5b by Molmil
Crystal structure of the C258S/C268S variant of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 (NTPDase1)
Descriptor: NUCLEOSIDE-TRIPHOSPHATASE 2
Authors:Krug, U, Zebisch, M, Strater, N.
Deposit date:2011-10-24
Release date:2011-11-30
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural Insight Into Activation Mechanism of Toxoplasma Gondii Nucleoside Triphosphate Diphosphohydrolases by Disulfide Reduction.
J.Biol.Chem., 287, 2012
4A57
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BU of 4a57 by Molmil
CRYSTAL STRUCTURE OF TOXOPLASMA GONDII NUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 3 (NTPDASE3)
Descriptor: CHLORIDE ION, NUCLEOSIDE-TRIPHOSPHATASE 1
Authors:Krug, U, Zebisch, M, Straeter, N.
Deposit date:2011-10-24
Release date:2011-11-30
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insight Into the Activation Mechanism of Toxoplasma Gondii Nucleoside Triphosphate Diphosphohydrolases by Disulfide Reduction.
J.Biol.Chem., 287, 2012
4A59
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BU of 4a59 by Molmil
Crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 3 (NTPDase3) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, NUCLEOSIDE-TRIPHOSPHATASE 1
Authors:Krug, U, Zebisch, M, Straeter, N.
Deposit date:2011-10-24
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insight Into the Activation Mechanism of Toxoplasma Gondii Nucleoside Triphosphate Diphosphohydrolases by Disulfide Reduction.
J.Biol.Chem., 287, 2012
4A5A
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BU of 4a5a by Molmil
Crystal structure of the C258S/C268S variant of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 3 (NTPDase3) in complex with magnesium and AMPPNP
Descriptor: MAGNESIUM ION, NUCLEOSIDE-TRIPHOSPHATASE 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Krug, U, Zebisch, M, Straeter, N.
Deposit date:2011-10-24
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural Insight Into the Activation Mechanism of Toxoplasma Gondii Nucleoside Triphosphate Diphosphohydrolases by Disulfide Reduction.
J.Biol.Chem., 287, 2012
4AUI
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BU of 4aui by Molmil
STRUCTURE AND FUNCTION OF THE PORB PORIN FROM DISSEMINATING N. GONORRHOEAE
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Zeth, K, Kozjak-Pavlovic, V, Faulstich, M, Hurwitz, R, Kepp, O, Rudel, T.
Deposit date:2012-05-17
Release date:2012-10-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and Function of the Porb Porin from Disseminating Neisseria Gonorrhoeae.
Biochem.J., 449, 2013
4BR5
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BU of 4br5 by Molmil
Rat NTPDase2 in complex with Zn AMPPNP
Descriptor: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2, GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Zebisch, M, Schaefer, P, Lauble, P, Straeter, N.
Deposit date:2013-06-04
Release date:2013-07-17
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Structure, 21, 2013
4BQZ
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BU of 4bqz by Molmil
Rat NTPDase2 in complex with Mg GMPPNP
Descriptor: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2, GLYCEROL, MAGNESIUM ION, ...
Authors:Zebisch, M, Schaefer, P, Lauble, P, Straeter, N.
Deposit date:2013-06-03
Release date:2013-07-17
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Structure, 21, 2013
4BRD
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BU of 4brd by Molmil
Legionella pneumophila NTPDase1 Q193E crystal form II, closed, Mg AMPPNP complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, ...
Authors:Zebisch, M, Schaefer, P, Lauble, P, Straeter, N.
Deposit date:2013-06-04
Release date:2013-07-17
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Structure, 21, 2013

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