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6J0O
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BU of 6j0o by Molmil
Crystal structure of CERT START domain in complex with compound SC1
Descriptor: 2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT, UNKNOWN ATOM OR ION
Authors:Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
Deposit date:2018-12-25
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
1GZQ
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BU of 1gzq by Molmil
CD1b in complex with Phophatidylinositol
Descriptor: 2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE, B2-MICROGLOBULIN, DOCOSANE, ...
Authors:Gadola, S.D, Zaccai, N.R, Harlos, K, Shepherd, D, Ritter, G, Schmidt, R.R, Jones, E.Y, Cerundolo, V.
Deposit date:2002-05-24
Release date:2002-07-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure of Human Cd1B with Bound Ligands at 2.3 A, a Maze for Alkyl Chains
Nat.Immunol., 3, 2002
1GYH
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BU of 1gyh by Molmil
Structure of D158A Cellvibrio cellulosa alpha-L-arabinanase mutant
Descriptor: ARABINAN ENDO-1,5-ALPHA-L-ARABINOSIDASE A, CHLORIDE ION
Authors:Nurizzo, D, Turkenburg, J.P, Charnock, S.J, Roberts, S.M, Dodson, E.J, McKie, V.A, Taylor, E.J, Gilbert, H.J, Davies, G.J.
Deposit date:2002-04-23
Release date:2002-08-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Cellovibrio Cellulosa Alpha-L-Arabinanase 43A Has a Novel Five-Blade Beta-Propeller Fold
Nat.Struct.Biol., 9, 2002
5BZ6
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BU of 5bz6 by Molmil
Crystal structure of the N-terminal domain single mutant (S92A) of the human mitochondrial calcium uniporter fused with T4 lysozyme
Descriptor: Lysozyme,Calcium uniporter protein, mitochondrial, SULFATE ION
Authors:Lee, Y, Min, C.K, Kim, T.G, Song, H.K, Lim, Y, Kim, D, Shin, K, Kang, M, Kang, J.Y, Youn, H.-S, Lee, J.-G, An, J.Y, Park, K.R, Lim, J.J, Kim, J.H, Kim, J.H, Park, Z.Y, Kim, Y.-S, Wang, J, Kim, D.H, Eom, S.H.
Deposit date:2015-06-11
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure and function of the N-terminal domain of the human mitochondrial calcium uniporter.
Embo Rep., 16, 2015
6JLH
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BU of 6jlh by Molmil
Structure of SCGN in complex with a Snap25 peptide
Descriptor: CALCIUM ION, CHLORIDE ION, Secretagogin, ...
Authors:Qin, J, Sun, Q, Jia, D.
Deposit date:2019-03-05
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural and mechanistic insights into secretagogin-mediated exocytosis.
Proc.Natl.Acad.Sci.USA, 117, 2020
5C1V
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BU of 5c1v by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CATALYTIC SUBUNIT OF HUMAN CALCINEURIN
Descriptor: FE (III) ION, PHOSPHATE ION, Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform, ...
Authors:Guasch, A, Fita, I, Perez-Luque, R, Aparicio, D, Aranguren-Ibanez, A, Perez-Riba, M.
Deposit date:2015-06-15
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Calcineurin Undergoes a Conformational Switch Evoked via Peptidyl-Prolyl Isomerization.
Plos One, 10, 2015
1GSI
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BU of 1gsi by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP)
Descriptor: ACETATE ION, MAGNESIUM ION, SULFATE ION, ...
Authors:Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D.
Deposit date:2002-01-03
Release date:2002-03-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals
Acta Crystallogr.,Sect.D, 58, 2002
1HH1
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BU of 1hh1 by Molmil
THE STRUCTURE OF HJC, A HOLLIDAY JUNCTION RESOLVING ENZYME FROM SULFOLOBUS SOLFATARICUS
Descriptor: HOLLIDAY JUNCTION RESOLVING ENZYME HJC
Authors:Bond, C.S, Kvaratskhelia, M, Richard, D, White, M.F, Hunter, W.N.
Deposit date:2000-12-18
Release date:2001-04-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of Hjc, a Holliday Junction Resolvase, from Sulfolobus Solfataricus
Proc.Natl.Acad.Sci.USA, 98, 2001
6IZV
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BU of 6izv by Molmil
Averaged strand structure of a 15-stranded ParM filament from Clostridium botulinum
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative plasmid segregation protein ParM
Authors:Koh, F, Narita, A, Lee, L.J, Tan, Y.Z, Dandey, V.P, Tanaka, K, Popp, D, Robinson, R.C.
Deposit date:2018-12-20
Release date:2019-06-19
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:The structure of a 15-stranded actin-like filament from Clostridium botulinum.
Nat Commun, 10, 2019
5C83
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BU of 5c83 by Molmil
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21
Descriptor: (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
Deposit date:2015-06-25
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
6YEV
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BU of 6yev by Molmil
Crystal structure of MsrA C206 and Trx C35S complex from Escherichia coli
Descriptor: Peptide methionine sulfoxide reductase MsrA, SODIUM ION, Thioredoxin 1
Authors:Napolitano, S, Zyla, D, Glockshuber, R.
Deposit date:2020-03-25
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structure of a complex between the single-cysteine mutant MsrA C206 and Trx C35S from Escherichia coli
To Be Published
5C5Z
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BU of 5c5z by Molmil
Crystal structure analysis of c4763, a uropathogenic E. coli-specific protein
Descriptor: Glutamyl-tRNA amidotransferase
Authors:Kim, H, Choi, J, Kim, D, Kim, K.K.
Deposit date:2015-06-22
Release date:2015-08-19
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure analysis of c4763, a uropathogenic Escherichia coli-specific protein.
Acta Crystallogr.,Sect.F, 71, 2015
5C66
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BU of 5c66 by Molmil
E. Coli Alkaline Phosphatase in complex with tungstate
Descriptor: Alkaline phosphatase, TUNGSTATE(VI)ION, ZINC ION
Authors:Peck, A, Herschlag, D.
Deposit date:2015-06-22
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Tungstate as a Transition State Analog for Catalysis by Alkaline Phosphatase.
J.Mol.Biol., 428, 2016
1H8B
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BU of 1h8b by Molmil
EF-hands 3,4 from alpha-actinin / Z-repeat 7 from titin
Descriptor: ALPHA-ACTININ 2, SKELETAL MUSCLE ISOFORM, TITIN
Authors:Atkinson, R.A, Joseph, C, Kelly, G, Muskett, F.W, Frenkiel, T.A, Nietlispach, D, Pastore, A.
Deposit date:2001-02-01
Release date:2001-08-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ca2+-Independent Binding of an EF-Hand Domain to a Novel Motif in the Alpha-Actinin-Titin Complex
Nat.Struct.Biol., 8, 2001
6YM5
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BU of 6ym5 by Molmil
Crystal structure of BAY-091 with PIP4K2A
Descriptor: (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
Deposit date:2020-04-07
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
6YHT
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BU of 6yht by Molmil
A lid blocking mechanism of a cone snail toxin revealed at the atomic level
Descriptor: CITRIC ACID, Conk-C1, SULFATE ION
Authors:Saikia, C, Altman-Gueta, H, Dym, O, Frolow, F, Gurevitz, M, Gordon, D, Reuveny, E, Karbat, I.
Deposit date:2020-03-31
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Molecular Lid Mechanism of K + Channel Blocker Action Revealed by a Cone Peptide.
J.Mol.Biol., 433, 2021
6JF1
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BU of 6jf1 by Molmil
Crystal structure of the substrate binding protein of a methionine transporter from Streptococcus pneumoniae
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Jha, B, Vyas, R, Bhushan, J, Sehgal, D, Biswal, B.K.
Deposit date:2019-02-07
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into the substrate specificity of SP_0149, the substrate-binding protein of a methionine ABC transporter from Streptococcus pneumoniae.
Acta Crystallogr.,Sect.F, 75, 2019
1I16
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BU of 1i16 by Molmil
STRUCTURE OF INTERLEUKIN 16: IMPLICATIONS FOR FUNCTION, NMR, 20 STRUCTURES
Descriptor: INTERLEUKIN 16
Authors:Muehlhahn, P, Zweckstetter, M, Georgescu, J, Ciosto, C, Renner, C, Lanzendoerfer, M, Lang, K, Ambrosius, D, Baier, M, Kurth, R, Holak, T.A.
Deposit date:1998-05-20
Release date:1999-05-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of interleukin 16 resembles a PDZ domain with an occluded peptide binding site.
Nat.Struct.Biol., 5, 1998
6YHY
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BU of 6yhy by Molmil
A lid blocking mechanism of a cone snail toxin revealed at the atomic level
Descriptor: Conk-S1
Authors:Saikia, C, Altman-Gueta, H, Dym, O, Frolow, F, Gurevitz, M, Gordon, D, Reuveny, E, Karbat, I.
Deposit date:2020-03-31
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Molecular Lid Mechanism of K + Channel Blocker Action Revealed by a Cone Peptide.
J.Mol.Biol., 433, 2021
5CFS
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BU of 5cfs by Molmil
Crystal Structure of ANT(2")-Ia in complex with AMPCPP and tobramycin
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, AAD(2''),Gentamicin 2''-nucleotidyltransferase,Gentamicin resistance protein, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Rodionov, D, Bassenden, A.V, Berghuis, A.M.
Deposit date:2015-07-08
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design.
Acs Chem.Biol., 11, 2016
6JHR
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BU of 6jhr by Molmil
The cryo-EM structure of HAV bound to a neutralizing antibody-F6
Descriptor: FAB Heavy Chain, FAB Light Chain, VP1, ...
Authors:Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X.
Deposit date:2019-02-18
Release date:2020-03-18
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors.
Plos Biol., 17, 2019
1I4K
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BU of 1i4k by Molmil
CRYSTAL STRUCTURE OF AN SM-LIKE PROTEIN (AF-SM1) FROM ARCHAEOGLOBUS FULGIDUS AT 2.5A RESOLUTION
Descriptor: CITRIC ACID, PUTATIVE SNRNP SM-LIKE PROTEIN
Authors:Toro, I, Thore, S, Mayer, C, Basquin, J, Seraphin, B, Suck, D.
Deposit date:2001-02-22
Release date:2001-08-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:RNA binding in an Sm core domain: X-ray structure and functional analysis of an archaeal Sm protein complex.
EMBO J., 20, 2001
6IZR
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BU of 6izr by Molmil
Whole structure of a 15-stranded ParM filament from Clostridium botulinum
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative plasmid segregation protein ParM
Authors:Koh, F, Narita, A, Lee, L.J, Tan, Y.Z, Dandey, V.P, Tanaka, K, Popp, D, Robinson, R.C.
Deposit date:2018-12-20
Release date:2019-06-19
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:The structure of a 15-stranded actin-like filament from Clostridium botulinum.
Nat Commun, 10, 2019
6JMF
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BU of 6jmf by Molmil
Crystal structure of human tyrosine-protein kinase Fes/Fps in complex with compound 4
Descriptor: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide, SULFATE ION, Tyrosine-protein kinase Fes/Fps
Authors:Baba, D, Hanzawa, H.
Deposit date:2019-03-08
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity.
Acs Med.Chem.Lett., 10, 2019
1I5H
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BU of 1i5h by Molmil
SOLUTION STRUCTURE OF THE RNEDD4 WWIII DOMAIN-RENAL BP2 PEPTIDE COMPLEX
Descriptor: AMILORIDE-SENSITIVE SODIUM CHANNEL BETA-SUBUNIT, UBIQUITIN LIGASE NEDD4
Authors:Kanelis, V, Rotin, D, Forman-Kay, J.D.
Deposit date:2001-02-27
Release date:2001-05-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a Nedd4 WW domain-ENaC peptide complex.
Nat.Struct.Biol., 8, 2001

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