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PDB: 3016 results
6PFE
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BU of 6pfe by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxybenzoic acid.
Descriptor: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.812 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
2KF5
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BU of 2kf5 by Molmil
Barnase bound to d(CGAC), low pressure
Descriptor: Ribonuclease
Authors:Williamson, M.P, Wilton, D.J.
Deposit date:2009-02-11
Release date:2009-12-08
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Pressure-dependent structure changes in barnase on ligand binding reveal intermediate rate fluctuations.
Biophys.J., 97, 2009
2KPR
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BU of 2kpr by Molmil
Monomeric intronic human chl1 gene quadruplex DNA NMR, 17 structures
Descriptor: 5'-D(*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*GP*GP*GP*TP*GP*GP*GP*T)-3'
Authors:Kuryavyi, V, Patel, D.J.
Deposit date:2009-10-19
Release date:2010-03-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of a Unique G-Quadruplex Scaffold Adopted by a Guanosine-Rich Human Intronic Sequence.
Structure, 18, 2010
6OYW
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BU of 6oyw by Molmil
ASK1 kinase domain in complex with Compound 11
Descriptor: (19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase 5
Authors:Marcotte, D.J.
Deposit date:2019-05-15
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors.
J.Med.Chem., 62, 2019
2KUX
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BU of 2kux by Molmil
Solution structure of the cyclotide kalata B5 from Oldenlandia affinis
Descriptor: Kalata-B5
Authors:Rosengren, K.J, Craik, D.J.
Deposit date:2010-03-01
Release date:2010-03-23
Last modified:2016-06-01
Method:SOLUTION NMR
Cite:Structural and biochemical characteristics of the cyclotide kalata B5 from Oldenlandia affinis
Biopolymers, 94, 2010
6PPR
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BU of 6ppr by Molmil
Cryo-EM structure of AdnA(D934A)-AdnB(D1014A) in complex with AMPPNP and DNA
Descriptor: ATP-dependent DNA helicase (UvrD/REP), DNA (70-MER), IRON/SULFUR CLUSTER, ...
Authors:Jia, N, Unciuleac, M, Shuman, S, Patel, D.J.
Deposit date:2019-07-08
Release date:2019-11-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures and single-molecule analysis of bacterial motor nuclease AdnAB illuminate the mechanism of DNA double-strand break resection.
Proc.Natl.Acad.Sci.USA, 116, 2019
2KYP
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BU of 2kyp by Molmil
Monomeric Human CKIT-2 proto-oncogene promoter quadruplex DNA NMR, 12 structures
Descriptor: 5'-D(*CP*GP*GP*GP*CP*GP*GP*GP*CP*GP*CP*TP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3'
Authors:Kuryavyi, V, Phan, A.T, Patel, D.J.
Deposit date:2010-06-06
Release date:2010-06-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structures of all parallel-stranded monomeric and dimeric G-quadruplex scaffolds of the human c-kit2 promoter.
Nucleic Acids Res., 38, 2010
6PF3
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BU of 6pf3 by Molmil
Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, Thymidylate synthase
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.391 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PF2
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BU of 6pf2 by Molmil
Crystal Structure of Amino Acids 1220-1276 of Human Beta Cardiac Myosin Fused to Gp7 and Eb1
Descriptor: 1,2-ETHANEDIOL, Myosin, heavy polypeptide 7, ...
Authors:Andreas, M.P, Korkmaz, E.N, Kirsch, C.J, Hargreaves, M, Kieffer, D.J, Ajay, G, Cui, Q, Rayment, I.
Deposit date:2019-06-21
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A Complete Model of the Cardiac Myosin Rod
To Be Published
6PF8
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BU of 6pf8 by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid
Descriptor: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.533 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PFD
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BU of 6pfd by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)terephthalic acid.
Descriptor: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.324 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PPJ
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BU of 6ppj by Molmil
Cryo-EM structure of AdnA(D934A)-AdnB(D1014A) in complex with AMPPNP
Descriptor: ATP-dependent DNA helicase (UvrD/REP), IRON/SULFUR CLUSTER, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Jia, N, Unciuleac, M, Shuman, S, Patel, D.J.
Deposit date:2019-07-07
Release date:2019-11-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures and single-molecule analysis of bacterial motor nuclease AdnAB illuminate the mechanism of DNA double-strand break resection.
Proc.Natl.Acad.Sci.USA, 116, 2019
2L7F
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BU of 2l7f by Molmil
Solution Structure of the Pitx2 Homeodomain
Descriptor: Pituitary homeobox 2
Authors:Doerdelmann, T, Rance, M, Baird-Titus, J.M, Kojetin, D.J.
Deposit date:2010-12-08
Release date:2011-12-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure of the Pitx2 Homeodomain
To be Published
6OYT
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BU of 6oyt by Molmil
ASK1 kinase domain in complex with GS-4997
Descriptor: 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide, ACETATE ION, Mitogen-activated protein kinase kinase kinase 5
Authors:Marcotte, D.J.
Deposit date:2019-05-15
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.824 Å)
Cite:Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors.
J.Med.Chem., 62, 2019
6PCH
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BU of 6pch by Molmil
E. coli 50S ribosome bound to compound 21
Descriptor: (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2019-06-17
Release date:2020-06-17
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PF9
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BU of 6pf9 by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid.
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PFP
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BU of 6pfp by Molmil
Crystal Structure of Amino Acids 1473-1536 of Human Beta Cardiac Myosin Fused to Gp7 and Eb1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Myosin-7 fused to GP7 and EB1, SULFATE ION
Authors:Andreas, M.P, Korkmaz, E.N, Kirsch, C.J, Hargreaves, M.D, Kieffer, D.J, Ajay, G, Cui, Q, Rayment, I.
Deposit date:2019-06-21
Release date:2020-06-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Complete Model of the Cardiac Myosin Rod
To Be Published
2LPM
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BU of 2lpm by Molmil
Chemical Shift and Structure Assignments for Sma0114
Descriptor: Two-component response regulator
Authors:Sheftic, S.R, Gage, D.J, Alexandrescu, A.T.
Deposit date:2012-02-15
Release date:2012-09-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Structure and Dynamics of the Response Regulator Sma0114 from Sinorhizobium meliloti.
Biochemistry, 51, 2012
6P9W
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BU of 6p9w by Molmil
Poliovirus (Type 1 Mahoney), receptor catalysed 135S particle map
Descriptor: VP1, VP2, VP3
Authors:Hogle, J.M, Filman, D.J, Shah, P.N.M.
Deposit date:2019-06-10
Release date:2020-06-10
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate.
Plos Pathog., 16, 2020
6PFG
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BU of 6pfg by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-carbamoylbenzoic acid.
Descriptor: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.706 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
2LEY
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BU of 2ley by Molmil
Solution structure of (R7G)-Crp4
Descriptor: Alpha-defensin 4
Authors:Rosengren, K, Andersson, H.S, Haugaard-Kedstrom, L.M, Bengtsson, E, Daly, N.L, Figueredo, S.M, Qu, X, Craik, D.J, Ouellette, A.J.
Deposit date:2011-06-26
Release date:2012-05-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The alpha-defensin salt-bridge induces backbone stability to facilitate folding and confer proteolytic resistance.
Amino Acids, 43, 2012
2LHT
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BU of 2lht by Molmil
Solution structure of Venturia inaequalis cellophane-induced 1 protein (ViCin1) domains 1 and 2
Descriptor: Cellophane-induced protein 1
Authors:Mesarich, C.H, Schmitz, M, Tremouilhac, P, Greenwood, D.R, Mcgillivray, D.J, Templeton, M.D, Dingley, A.J.
Deposit date:2011-08-16
Release date:2012-07-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure, dynamics and domain organization of the repeat protein Cin1 from the apple scab fungus.
Biochim.Biophys.Acta, 1824, 2012
2LD6
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BU of 2ld6 by Molmil
Solution Structure of Histidine Phosphotransfer Domain of CheA
Descriptor: Chemotaxis protein CheA
Authors:Vu, A, Hamel, D.J, Zhou, H, Dahlquist, F.W.
Deposit date:2011-05-16
Release date:2011-10-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The structure and dynamic properties of the complete histidine phosphotransfer domain of the chemotaxis specific histidine autokinase CheA from Thermotoga maritima.
J.Biomol.Nmr, 51, 2011
6P9O
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BU of 6p9o by Molmil
Poliovirus 135S-like expanded particle in complex with a monoclonal antibody directed against the N-terminal extension of capsid protein VP1
Descriptor: VP1, VP2, VP3
Authors:Hogle, J.M, Filman, D.J, Shah, P.N.M.
Deposit date:2019-06-10
Release date:2020-06-10
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate.
Plos Pathog., 16, 2020
6PC7
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BU of 6pc7 by Molmil
E. coli 50S ribosome bound to compound 46
Descriptor: (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2019-06-16
Release date:2020-06-17
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020

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