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8U7I
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BU of 8u7i by Molmil
Structure of the phage immune evasion protein Gad1 bound to the Gabija GajAB complex
Descriptor: Endonuclease GajA, Gabija Anti-Defense 1, Gabija protein GajB
Authors:Antine, S.P, Johnson, A.G, Mooney, S.E, Mayer, M.L, Kranzusch, P.J.
Deposit date:2023-09-15
Release date:2023-11-22
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Structural basis of Gabija anti-phage defence and viral immune evasion.
Nature, 625, 2024
8SM3
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BU of 8sm3 by Molmil
Structure of Bacillus cereus VD045 Gabija GajA-GajB Complex
Descriptor: Endonuclease GajA, Gabija protein GajB, SULFATE ION
Authors:Antine, S.P, Mooney, S.E, Johnson, A.G, Kranzusch, P.J.
Deposit date:2023-04-25
Release date:2023-11-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of Gabija anti-phage defence and viral immune evasion.
Nature, 625, 2024
6VM6
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BU of 6vm6 by Molmil
Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor with the cyclic trinucleotide 2'3'3'-cAAA
Descriptor: 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3'), SAVED domain-containing protein, SULFATE ION
Authors:Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J.
Deposit date:2020-01-27
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection.
Cell, 182, 2020
6VM5
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BU of 6vm5 by Molmil
Structure of Moraxella osloensis Cap4 SAVED/CARF-domain containing receptor
Descriptor: MAGNESIUM ION, SAVED domain-containing protein
Authors:Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J.
Deposit date:2020-01-27
Release date:2020-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection.
Cell, 182, 2020
6WAM
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BU of 6wam by Molmil
Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor
Descriptor: SAVED domain-containing protein, SULFATE ION
Authors:Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J.
Deposit date:2020-03-25
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection.
Cell, 182, 2020
6WAN
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BU of 6wan by Molmil
Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor with the cyclic trinucleotide 3'3'3'-cAAA
Descriptor: Cyclic RNA (R(P*AP*AP*A), SAVED domain-containing protein, SULFATE ION
Authors:Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J.
Deposit date:2020-03-25
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection.
Cell, 182, 2020
8SMG
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BU of 8smg by Molmil
Structure of SPO1 phage Tad2 in complex with 1''-2' gcADPR
Descriptor: (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, Gp34.65
Authors:Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J.
Deposit date:2023-04-26
Release date:2023-11-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
8SMD
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BU of 8smd by Molmil
Structure of Clostridium botulinum prophage Tad1 in complex with 1''-3' gcADPR
Descriptor: (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, ABC transporter ATPase
Authors:Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J.
Deposit date:2023-04-26
Release date:2023-11-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
8SMF
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BU of 8smf by Molmil
Structure of SPO1 phage Tad2 in complex with 1''-3' gcADPR
Descriptor: (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, Gp34.65, MAGNESIUM ION
Authors:Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J.
Deposit date:2023-04-26
Release date:2023-11-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
8SME
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BU of 8sme by Molmil
Structure of SPO1 phage Tad2 in apo state
Descriptor: Gp34.65
Authors:Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J.
Deposit date:2023-04-26
Release date:2023-11-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
8TTO
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BU of 8tto by Molmil
Structure of Hachiman anti-defense 1 (Had1)
Descriptor: Hachiman
Authors:Ragucci, A.E, Antine, S.P, Kranzusch, P.J.
Deposit date:2023-08-14
Release date:2023-11-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
1DYR
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BU of 1dyr by Molmil
THE STRUCTURE OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE TO 1.9 ANGSTROMS RESOLUTION
Descriptor: DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
Authors:Champness, J.N, Achari, A, Ballantine, S.P, Bryant, P.K, Delves, C.J, Stammers, D.K.
Deposit date:1994-09-14
Release date:1995-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The structure of Pneumocystis carinii dihydrofolate reductase to 1.9 A resolution.
Structure, 2, 1994
7UAV
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BU of 7uav by Molmil
Structure of Clostridium botulinum prophage Tad1 in apo state
Descriptor: ABC transporter ATPase
Authors:Lu, A, Leavitt, A, Yirmiya, E, Amitai, G, Garb, J, Morehouse, B.R, Hobbs, S.J, Sorek, R, Kranzusch, P.J.
Deposit date:2022-03-14
Release date:2022-10-05
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Viruses inhibit TIR gcADPR signalling to overcome bacterial defence.
Nature, 611, 2022
7UAW
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BU of 7uaw by Molmil
Structure of Clostridium botulinum prophage Tad1 in complex with 1''-2' gcADPR
Descriptor: (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, ABC transporter ATPase
Authors:Lu, A, Leavitt, A, Yirmiya, E, Amitai, G, Garb, J, Morehouse, B.R, Hobbs, S.J, Sorek, R, Kranzusch, P.J.
Deposit date:2022-03-14
Release date:2022-10-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Viruses inhibit TIR gcADPR signalling to overcome bacterial defence.
Nature, 611, 2022
3O57
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BU of 3o57 by Molmil
Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor
Descriptor: 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2010-07-28
Release date:2011-08-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
3O56
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BU of 3o56 by Molmil
Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor
Descriptor: 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2010-07-28
Release date:2011-08-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
3GWT
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BU of 3gwt by Molmil
Catalytic domain of human phosphodiesterase 4B2B in complex with a quinoline inhibitor
Descriptor: 6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2009-04-01
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Quinolines as a novel structural class of potent and selective PDE4 inhibitors. Optimisation for inhaled administration.
Bioorg.Med.Chem.Lett., 19, 2009
3D3P
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BU of 3d3p by Molmil
Crystal structure of PDE4B catalytic domain in complex with a pyrazolopyridine inhibitor
Descriptor: 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, ARSENIC, MAGNESIUM ION, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2008-05-12
Release date:2009-05-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Pyrazolopyridines as a novel structural class of potent and selective PDE4 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
1VJ3
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BU of 1vj3 by Molmil
STRUCTURAL STUDIES ON BIO-ACTIVE COMPOUNDS. CRYSTAL STRUCTURE AND MOLECULAR MODELING STUDIES ON THE PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COFACTOR COMPLEX WITH TAB, A HIGHLY SELECTIVE ANTIFOLATE.
Descriptor: ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Rak, D, Luft, J.R, Queener, S.F, Laughton, C.A, Malcolm, F.G.
Deposit date:2004-01-13
Release date:2004-01-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies on bioactive compounds. 30. Crystal structure and molecular modeling studies on the Pneumocystis carinii dihydrofolate reductase cofactor complex with TAB, a highly selective antifolate.
Biochemistry, 39, 2000
3CD2
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BU of 3cd2 by Molmil
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
Descriptor: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Rak, D, Luft, J, Pangborn, W, Queener, S.
Deposit date:1999-03-16
Release date:2000-03-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
2CD2
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BU of 2cd2 by Molmil
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Rak, D, Luft, J, Pangborn, W, Queener, S.
Deposit date:1999-03-15
Release date:2000-03-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
4CD2
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BU of 4cd2 by Molmil
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID
Authors:Cody, V, Galitsky, N, Rak, D, Luft, J.R, Pangborn, W, Queener, S.F.
Deposit date:1999-03-18
Release date:2000-03-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
1DAJ
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BU of 1daj by Molmil
COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Gangjee, A, Devraj, R, Queener, S.F, Blakley, R.L.
Deposit date:1997-07-29
Release date:1997-12-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Comparison of ternary complexes of Pneumocystis carinii and wild-type human dihydrofolate reductase with coenzyme NADPH and a novel classical antitumor furo[2,3-d]pyrimidine antifolate.
Acta Crystallogr.,Sect.D, 53, 1997
1LY4
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BU of 1ly4 by Molmil
Analysis of quinazoline and PYRIDO[2,3D]PYRIMIDINE N9-C10 reversed bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase
Descriptor: 2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A.
Deposit date:2002-06-06
Release date:2002-08-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 58, 2002
1LY3
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BU of 1ly3 by Molmil
ANALYSIS OF QUINAZOLINE AND PYRIDOPYRIMIDINE N9-C10 REVERSED BRIDGE ANTIFOLATES IN COMPLEX WITH NADP+ AND PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE
Descriptor: 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]QUINAZOLINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A.
Deposit date:2002-06-06
Release date:2002-08-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 58, 2002

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