4BRA
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![BU of 4bra by Molmil](/molmil-images/mine/4bra) | 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
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4BR0
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![BU of 4br0 by Molmil](/molmil-images/mine/4br0) | 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
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4BRC
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![BU of 4brc by Molmil](/molmil-images/mine/4brc) | 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
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4BRK
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![BU of 4brk by Molmil](/molmil-images/mine/4brk) | 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
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4BVP
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![BU of 4bvp by Molmil](/molmil-images/mine/4bvp) | 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
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4BR7
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![BU of 4br7 by Molmil](/molmil-images/mine/4br7) | Legionella pneumophila NTPDase1 crystal form I, open, AMPNP complex | Descriptor: | 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine, 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: | 2017-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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4BRO
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![BU of 4bro by Molmil](/molmil-images/mine/4bro) | |
4BR5
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![BU of 4br5 by Molmil](/molmil-images/mine/4br5) | 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
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4BRL
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![BU of 4brl by Molmil](/molmil-images/mine/4brl) | Legionella pneumophila NTPDase1 crystal form III (closed) in complex with transition state mimic guanosine 5'-phosphovanadate | Descriptor: | CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, GUANOSINE-5'-PHOSPHOVANADATE, ... | 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
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4BR9
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![BU of 4br9 by Molmil](/molmil-images/mine/4br9) | Legionella pneumophila NTPDase1 crystal form II, closed, apo | Descriptor: | ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, GLYCEROL, SULFATE ION | 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 (1.4 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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4BRP
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![BU of 4brp by Molmil](/molmil-images/mine/4brp) | Legionella pneumophila NTPDase1 crystal form V (part-open) | Descriptor: | BROMIDE 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 (2.5 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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4BRG
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![BU of 4brg by Molmil](/molmil-images/mine/4brg) | Legionella pneumophila NTPDase1 crystal form II (closed) in complex with MG GMPPNP | 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 (1.45 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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4BRQ
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![BU of 4brq by Molmil](/molmil-images/mine/4brq) | LEGIONELLA PNEUMOPHILA NTPDASE1 CRYSTAL FORM II, CLOSED, IN COMPLEX WITH TWO PHOSPHATES BOUND TO ACTIVE SITE MG AND PRODUCT AMP | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | Deposit date: | 2013-06-05 | Release date: | 2013-07-17 | Last modified: | 2013-12-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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4BRF
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![BU of 4brf by Molmil](/molmil-images/mine/4brf) | Legionella pneumophila NTPDase1 crystal form II (closed) in complex with a distorted orthomolybdate ion and AMP | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, ... | Authors: | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | Deposit date: | 2013-06-04 | Release date: | 2013-07-17 | Last modified: | 2014-05-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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4BRE
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![BU of 4bre by Molmil](/molmil-images/mine/4bre) | 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
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4BRN
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![BU of 4brn by Molmil](/molmil-images/mine/4brn) | Legionella pneumophila NTPDase1 crystal form III (closed) in complex with Mg AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, 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 (1.69 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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3SC1
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![BU of 3sc1 by Molmil](/molmil-images/mine/3sc1) | Novel Isoquinolone PDK1 Inhibitors Discovered through Fragment-Based Lead Discovery | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ... | Authors: | Greasley, S.E, Ferre, R.-A, Krauss, M, Cronin, C. | Deposit date: | 2011-06-06 | Release date: | 2011-10-26 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery. J Comput Aided Mol Des, 25, 2011
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