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6VOY
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BU of 6voy by Molmil
Cryo-EM structure of HTLV-1 instasome
Descriptor: DNA (25-MER), DNA (5'-D(P*AP*CP*AP*CP*AP*CP*TP*TP*GP*AP*CP*TP*AP*GP*GP*GP*TP*G)-3'), DNA-binding protein 7d, ...
Authors:Bhatt, V, Shi, K, Sundborger, A, Aihara, H.
Deposit date:2020-02-01
Release date:2020-07-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of host protein hijacking in human T-cell leukemia virus integration.
Nat Commun, 11, 2020
2OPT
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BU of 2opt by Molmil
Crystal Structure of Apo ActR from Streptomyces coelicolor.
Descriptor: ActII protein
Authors:Willems, A.R, Junop, M.S.
Deposit date:2007-01-30
Release date:2008-02-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of the Streptomyces coelicolor TetR-like protein ActR alone and in complex with actinorhodin or the actinorhodin biosynthetic precursor (S)-DNPA.
J.Mol.Biol., 376, 2008
3HIE
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BU of 3hie by Molmil
Structure of the membrane-binding domain of the Sec3 subunit of the Exocyst complex
Descriptor: Exocyst complex component SEC3, PHOSPHATE ION
Authors:Baek, K, Dominguez, R.
Deposit date:2009-05-19
Release date:2010-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-function study of the N-terminal domain of exocyst subunit Sec3.
J.Biol.Chem., 285, 2010
6VQL
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BU of 6vql by Molmil
CRYSTAL STRUCTURE OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4-WT) COMPLEX WITH A NICOTINAMIDE INHIBITOR
Descriptor: 6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
Authors:Sack, J.S.
Deposit date:2020-02-05
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.
Acs Med.Chem.Lett., 11, 2020
2ORS
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BU of 2ors by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex
Descriptor: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, Nitric oxide synthase, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
6NFL
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BU of 6nfl by Molmil
Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B with loop 7 from APOBEC3G complexed with 2-HP
Descriptor: 1,2-ETHANEDIOL, 1,3-diazinan-2-one, CHLORIDE ION, ...
Authors:Shi, K, Orellana, K, Aihara, H.
Deposit date:2018-12-20
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.731 Å)
Cite:Active site plasticity and possible modes of chemical inhibition of the human DNA deaminase APOBEC3B
Faseb Bioadv, 2, 2020
6NFK
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BU of 6nfk by Molmil
Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B with loop 7 from APOBEC3G bound to iodide
Descriptor: 1,2-ETHANEDIOL, DNA dC->dU-editing enzyme APOBEC-3B, IODIDE ION
Authors:Shi, K, Orellana, K, Aihara, H.
Deposit date:2018-12-20
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Active site plasticity and possible modes of chemical inhibition of the human DNA deaminase APOBEC3B
Faseb Bioadv, 2, 2020
2ORQ
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BU of 2orq by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex
Descriptor: 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE, 4-(1H-IMIDAZOL-1-YL)PHENOL, Nitric oxide synthase, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORP
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BU of 2orp by Molmil
Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex
Descriptor: 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE, PROTOPORPHYRIN IX CONTAINING FE, nitric oxide synthase, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORR
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BU of 2orr by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-pyrimidine Complex
Descriptor: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE, Nitric oxide synthase, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2H1M
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BU of 2h1m by Molmil
Synthesis, Oxidation Behavior, Crystallization and Structure of 2'-Methylseleno Guanosine Containing RNAs
Descriptor: 5'-R(*GP*CP*AP*(XUG)P*AP*GP*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3', SULFATE ION
Authors:Serganov, A.A.
Deposit date:2006-05-16
Release date:2006-07-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Synthesis, Oxidation Behavior, Crystallization and Structure of 2'-Methylseleno Guanosine Containing RNAs.
J.Am.Chem.Soc., 128, 2006
2ORO
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BU of 2oro by Molmil
Murine inducible nitric oxide synthase oxygenase domain (delta 114) (r)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide complex
Descriptor: N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE, PROTOPORPHYRIN IX CONTAINING FE, SULFITE ION, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORT
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BU of 2ort by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 1-Benzo[1,3]dioxol-5-ylmethyl-3S-(4-imidazol-1-yl-phenoxy)-piperidine Complex
Descriptor: (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE, Nitric oxide synthase, inducible, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-02-04
Release date:2007-04-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
8D64
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BU of 8d64 by Molmil
ELIC with cysteamine in POPC nanodisc
Descriptor: 2-AMINO-ETHANETHIOL, Erwinia ligand-gated ion channel
Authors:Petroff II, J.T, Deng, Z, Rau, M.J, Fitzpatrick, J.A.J, Yuan, P, Cheng, W.W.L.
Deposit date:2022-06-06
Release date:2022-11-23
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation.
Nat Commun, 13, 2022
8D67
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BU of 8d67 by Molmil
ELIC3 with cysteamine in 2:1:1 POPC:POPE:POPG nanodisc
Descriptor: 2-AMINO-ETHANETHIOL, Erwinia ligand-gated ion channel
Authors:Petroff II, J.T, Deng, Z, Rau, M.J, Fitzpatrick, J.A.J, Yuan, P, Cheng, W.W.L.
Deposit date:2022-06-06
Release date:2022-11-23
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation.
Nat Commun, 13, 2022
8D66
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BU of 8d66 by Molmil
ELIC with cysteamine in 2:1:1 POPC:POPE:POPG nanodisc
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-AMINO-ETHANETHIOL, Erwinia ligand-gated ion channel
Authors:Petroff II, J.T, Deng, Z, Rau, M.J, Fitzpatrick, J.A.J, Yuan, P, Cheng, W.W.L.
Deposit date:2022-06-06
Release date:2022-11-23
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation.
Nat Commun, 13, 2022
8D65
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BU of 8d65 by Molmil
ELIC apo in 2:1:1 POPC:POPE:POPG nanodisc
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Erwinia ligand-gated ion channel
Authors:Petroff II, J.T, Deng, Z, Rau, M.J, Fitzpatrick, J.A.J, Yuan, P, Cheng, W.W.L.
Deposit date:2022-06-06
Release date:2022-11-23
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation.
Nat Commun, 13, 2022
8D63
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BU of 8d63 by Molmil
ELIC apo in POPC nanodisc
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Erwinia ligand-gated ion channel
Authors:Petroff II, J.T, Deng, Z, Rau, M.J, Fitzpatrick, J.A.J, Yuan, P, Cheng, W.W.L.
Deposit date:2022-06-06
Release date:2022-11-23
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation.
Nat Commun, 13, 2022
8GKF
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BU of 8gkf by Molmil
Phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis in complex with Raltitrexed.
Descriptor: 4'-phosphopantetheinyl transferase PptT, TOMUDEX
Authors:Krieger, I.V, Singh, A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2023-03-18
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Redirecting raltitrexed from cancer cell thymidylate synthase to Mycobacterium tuberculosis phosphopantetheinyl transferase.
Sci Adv, 10, 2024
7VCM
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BU of 7vcm by Molmil
crystal structure of GINKO1
Descriptor: Green fluorescent protein,Potassium binding protein Kbp,Green fluorescent protein, POTASSIUM ION
Authors:Wen, Y, Campbell, R.E, Lemieux, M.J.
Deposit date:2021-09-03
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A sensitive and specific genetically-encoded potassium ion biosensor for in vivo applications across the tree of life.
Plos Biol., 20, 2022
6QAM
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BU of 6qam by Molmil
Solution NMR structure of outer membrane protein AlkL
Descriptor: Outer membrane protein AlkL
Authors:Schubeis, T, Andreas, L.B, Pintacuda, G.
Deposit date:2018-12-19
Release date:2020-01-15
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A beta-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL.
Proc.Natl.Acad.Sci.USA, 117, 2020
8F0V
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BU of 8f0v by Molmil
Lipocalin-like Milk protein-2 - E38A mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Milk protein, ZINC ION
Authors:Subramanian, R, KanagaVijayan, D.
Deposit date:2022-11-04
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.951 Å)
Cite:Variability in phenylalanine side chain conformations facilitates broad substrate tolerance of fatty acid binding in cockroach milk proteins.
Plos One, 18, 2023
8F0Y
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BU of 8f0y by Molmil
Lipocalin-like Milk protein-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Milk protein
Authors:Subramanian, R, KanagaVijayan, D, Shantakumar, R.P.S.
Deposit date:2022-11-04
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Variability in phenylalanine side chain conformations facilitates broad substrate tolerance of fatty acid binding in cockroach milk proteins.
Plos One, 18, 2023
7M42
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BU of 7m42 by Molmil
Complex of SARS-CoV-2 receptor binding domain with the Fab fragments of neutralizing antibodies REGN10985 and REGN10989
Descriptor: REGN10985 antibody Fab fragment heavy chain, REGN10985 antibody Fab fragment light chain, REGN10989 antibody Fab fragment heavy chain, ...
Authors:Zhou, Y, Romero Hernandez, A, Saotome, K, Franklin, M.C.
Deposit date:2021-03-19
Release date:2021-07-28
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The monoclonal antibody combination REGEN-COV protects against SARS-CoV-2 mutational escape in preclinical and human studies.
Cell, 184, 2021
2PML
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BU of 2pml by Molmil
Crystal structure of PfPK7 in complex with an ATP analogue
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ser/Thr protein kinase
Authors:Merckx, A, Echalier, A, Noble, M, Endicott, J.
Deposit date:2007-04-23
Release date:2008-01-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of PfPK7 an atypical protein kinase from P. falciparum identify a novel activation motif and leads for inhibitor design
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PDB entries from 2024-07-17

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