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5OCB
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BU of 5ocb by Molmil
Crystal structure of nitric oxide bound D97N mutant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii
Descriptor: COPPER (II) ION, HEME C, NITRIC OXIDE, ...
Authors:Dong, J, Sasaki, D, Eady, R, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2017-06-30
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Activation of redox tyrosine switch is required for ligand binding at the catalytic site in heme-cu nitrite reductases
To be published
6YZF
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BU of 6yzf by Molmil
Crystal structure of the M295Y variant of Ssl1
Descriptor: COPPER (II) ION, Copper oxidase, GLU-HIS-SER, ...
Authors:Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
Deposit date:2020-05-06
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase
To Be Published
6YZD
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BU of 6yzd by Molmil
Crystal structure of the M295A variant of Ssl1
Descriptor: COPPER (II) ION, Copper oxidase, SULFATE ION
Authors:Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
Deposit date:2020-05-06
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase
To Be Published
5EM4
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BU of 5em4 by Molmil
Structure of CYP2B4 F244W in a ligand free conformation
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2015-11-05
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations.
Biochemistry, 55, 2016
6YZY
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BU of 6yzy by Molmil
Crystal structure of the M295V variant of Ssl1
Descriptor: COPPER (II) ION, Copper oxidase, SULFATE ION
Authors:Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
Deposit date:2020-05-07
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.282 Å)
Cite:Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase
To Be Published
4ZZD
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BU of 4zzd by Molmil
CRYSTAL STRUCTURE OF MULTIDRUG RESISTANCE REGULATOR LMRR BOUND TO RIBOFLAVIN
Descriptor: RIBOFLAVIN, TRANSCRIPTIONAL REGULATOR, PADR-LIKE FAMILY
Authors:Madoori, P.K, Thunnissen, A.-M.W.H.
Deposit date:2015-05-22
Release date:2015-08-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Binding of the Lactococcal Drug Dependent Transcriptional Regulator LmrR to Its Ligands and Responsive Promoter Regions.
Plos One, 10, 2015
8A66
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BU of 8a66 by Molmil
Crystal structure of MST2 in complex with XMU-MP-1
Descriptor: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, SODIUM ION, Serine/threonine-protein kinase 3 36kDa subunit
Authors:Nawrotek, A, Vuillard, L, Miallau, L, Weber, C.
Deposit date:2022-06-16
Release date:2022-07-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879
To Be Published
8XQX
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BU of 8xqx by Molmil
Cryo-EM structure of the Ycf2-FtsHi motor complex from chlamydomonas reinhardtii in apo state
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ACP, ...
Authors:Liang, K, Zhan, X, Wu, J, Yan, Z.
Deposit date:2024-01-05
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Conservation and specialization of the Ycf2-FtsHi chloroplast protein import motor in green algae.
Cell, 2024
7ZQQ
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BU of 7zqq by Molmil
Molybdenum storage protein - LB131H
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Ermler, U, Aziz, I.
Deposit date:2022-05-02
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The molybdenum storage protein forms and deposits distinct polynuclear tungsten oxygen aggregates.
J.Inorg.Biochem., 234, 2022
6RGM
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BU of 6rgm by Molmil
urate oxidase under 130 bar of krypton
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 8-AZAXANTHINE, ACETATE ION, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2019-04-17
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
8XQW
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BU of 8xqw by Molmil
Cryo-EM structure of the Ycf2-FtsHi motor complex from Chlamydomonas reinhardtii in AMPPNP bound state
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ACP, ...
Authors:Liang, K, Zhan, X, Wu, J, Yan, Z.
Deposit date:2024-01-10
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Conservation and specialization of the Ycf2-FtsHi chloroplast protein import motor in green algae.
Cell, 2024
5O5E
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BU of 5o5e by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with tunicamycin
Descriptor: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ...
Authors:Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2017-06-01
Release date:2018-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
4XLR
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BU of 4xlr by Molmil
Crystal structure of T.aquaticus transcription initiation complex with CarD containing bubble promoter and RNA
Descriptor: CarD-like transcriptional regulator, DNA (48-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
4XLN
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BU of 4xln by Molmil
Crystal structure of T. aquaticus transcription initiation complex containing bubble promoter and RNA
Descriptor: DNA (48-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of a bacterial RNA polymerase holoenzyme open promoter complex.
Elife, 4, 2015
4UQ3
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BU of 4uq3 by Molmil
Crystal structure of HLA-A0201 in complex with an azobenzene- containing peptide
Descriptor: AZOBENZENE-CONTAINING PEPTIDE, BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Thong, S.Y, Yap, J.W, Lim, P.Y, Verhelst, S.H, Lescar, J, Meijers, R, Grotenbreg, G.M.
Deposit date:2014-06-19
Release date:2014-09-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bioorthogonal cleavage and exchange of major histocompatibility complex ligands by employing azobenzene-containing peptides.
Angew. Chem. Int. Ed. Engl., 53, 2014
5O4G
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BU of 5o4g by Molmil
HER2 in complex with Fab MF3958
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MF3958 FAB heavy chain, ...
Authors:De Nardis, C, Gros, P.
Deposit date:2017-05-29
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Unbiased Combinatorial Screening Identifies a Bispecific IgG1 that Potently Inhibits HER3 Signaling via HER2-Guided Ligand Blockade.
Cancer Cell, 33, 2018
6ZLY
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BU of 6zly by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1362 (7a)
Descriptor: (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2020-07-01
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities.
J.Med.Chem., 63, 2020
5O4O
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BU of 5o4o by Molmil
HER3 in complex with Fab MF3178
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MF3178 FAB heavy chain, ...
Authors:De Nardis, C, Gros, P.
Deposit date:2017-05-30
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Unbiased Combinatorial Screening Identifies a Bispecific IgG1 that Potently Inhibits HER3 Signaling via HER2-Guided Ligand Blockade.
Cancer Cell, 33, 2018
3AC3
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BU of 3ac3 by Molmil
Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: 2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
Authors:Tsuji, E.
Deposit date:2009-12-28
Release date:2010-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
6U4X
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BU of 6u4x by Molmil
Crystal structure of Equine Serum Albumin complex with ibuprofen
Descriptor: IBUPROFEN, SULFATE ION, Serum albumin, ...
Authors:Czub, M.P, Handing, K.B, Venkataramany, B.S, Steen, E.H, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-26
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
6U32
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BU of 6u32 by Molmil
Crystal structure of HaloTag bound to tetramethylrhodamine-HaloTag ligand
Descriptor: 9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium, CHLORIDE ION, HaloTag
Authors:Berro, A.J, Schreiter, E.R.
Deposit date:2019-08-21
Release date:2020-09-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The HaloTag as a general scaffold for far-red tunable chemigenetic indicators.
Nat.Chem.Biol., 17, 2021
3NZJ
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BU of 3nzj by Molmil
Crystal structure of yeast 20S proteasome in complex with ligand 2a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proteasome component C1, Proteasome component C11, ...
Authors:Groll, M, Gallastegui, N, Marechal, X, Le Ravalec, V, Basse, N, Richy, N, Genin, E, Huber, R, Moroder, M, Vidal, V, Reboud-Ravaux, M.
Deposit date:2010-07-16
Release date:2011-02-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:20S proteasome inhibition: designing noncovalent linear peptide mimics of the natural product TMC-95A.
Chemmedchem, 5, 2010
3O2K
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BU of 3o2k by Molmil
Crystal Structure of Brevianamide F Prenyltransferase Complexed with Brevianamide F and Dimethylallyl S-thiolodiphosphate
Descriptor: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Brevianamide F prenyltransferase, ...
Authors:Jost, M, Zocher, G.E, Stehle, T.
Deposit date:2010-07-22
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-function analysis of an enzymatic prenyl transfer reaction identifies a reaction chamber with modifiable specificity.
J.Am.Chem.Soc., 132, 2010
3AC1
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BU of 3ac1 by Molmil
Crystal structure of pyrazin derivative bound to the kinase domain of Human LCK, (Auto-phosphorylated on TYR394)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Tsuji, E.
Deposit date:2009-12-28
Release date:2010-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published
3AC5
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BU of 3ac5 by Molmil
Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: 5-{[(1R,2S)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide, DIMETHYL SULFOXIDE, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Tsuji, E.
Deposit date:2009-12-28
Release date:2010-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ab initio molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published

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數據於2024-10-09公開中

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