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4BD3
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BU of 4bd3 by Molmil
Phf19 links methylated lysine 36 of histone H3 to regulation of Polycomb activity
Descriptor: HISTONE H3, PHD FINGER PROTEIN 19
Authors:Lapinaite, A, Simon, B, Carlomagno, T.
Deposit date:2012-10-04
Release date:2012-10-31
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Phf19 Links Methylated Lys36 of Histone H3 to Regulation of Polycomb Activity
Nat.Struct.Mol.Biol., 19, 2012
6WAU
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BU of 6wau by Molmil
Complex structure of PHF19
Descriptor: Histone H3.1t peptide, PHD finger protein 19, UNKNOWN ATOM OR ION
Authors:Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2020-03-26
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020
6WAV
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BU of 6wav by Molmil
Crystal structure of PHF1 in complex with H3K36me3 substitution
Descriptor: Histone H3.1, PHD finger protein 1, SULFATE ION, ...
Authors:Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2020-03-26
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020
5ZO7
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BU of 5zo7 by Molmil
Kinesin spindle protein Eg5 in complex with STLC-type inhibitor PVEI0138
Descriptor: (2R)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
Authors:Yokoyama, H, Sato, K.
Deposit date:2018-04-12
Release date:2018-10-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Thermodynamic Basis of the Enhanced Interaction between Kinesin Spindle Protein Eg5 and STLC-type Inhibitors.
Acs Omega, 3, 2018
5IHA
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BU of 5iha by Molmil
MELK in complex with NVS-MELK8F
Descriptor: 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Brazell, T.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
6WAT
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BU of 6wat by Molmil
complex structure of PHF1
Descriptor: Histone H3.1t peptide, PHD finger protein 1, UNKNOWN ATOM OR ION
Authors:Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2020-03-26
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020
6Y1M
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BU of 6y1m by Molmil
Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47K mutant
Descriptor: DIETHYL PHOSPHONATE, FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light CHAIN
Authors:Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M.
Deposit date:2020-02-12
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ACR
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BU of 6acr by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638
Descriptor: Activin receptor type-1, N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine, SULFATE ION
Authors:Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M.
Deposit date:2018-07-27
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Bis-Heteroaryl Pyrazoles: Identification of Orally Bioavailable Inhibitors of Activin Receptor-Like Kinase-2 (R206H).
Chem. Pharm. Bull., 67, 2019
6DGV
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BU of 6dgv by Molmil
iGABASnFR Fluorescent GABA Sensor precursor
Descriptor: Fluorescent GABA Sensor precursor
Authors:Marvin, J.S, Looger, L.L.
Deposit date:2018-05-18
Release date:2019-04-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A genetically encoded fluorescent sensor for in vivo imaging of GABA.
Nat.Methods, 16, 2019
5IH8
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BU of 5ih8 by Molmil
MELK in complex with NVS-MELK1
Descriptor: Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
Authors:Sprague, E.R, Puleo, D.E.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH9
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BU of 5ih9 by Molmil
MELK in complex with NVS-MELK8A
Descriptor: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Puleo, D.E.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
6X5Q
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BU of 6x5q by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluA1
Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, Glutamate receptor 1
Authors:Ozden, C, Stratton, M.M, Garman, S.C.
Deposit date:2020-05-26
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
6X5G
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BU of 6x5g by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and LRRC7 inhibitory domain
Descriptor: BICINE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, ...
Authors:Ozden, C, Stratton, M.M, Garman, S.C.
Deposit date:2020-05-26
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
1HAK
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BU of 1hak by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN PLACENTAL ANNEXIN V COMPLEXED WITH K-201 AS A CALCIUM CHANNEL ACTIVITY INHIBITOR
Descriptor: 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE, ANNEXIN V
Authors:Ago, H, Inagaki, E, Miyano, M.
Deposit date:1997-12-10
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of annexin V with its ligand K-201 as a calcium channel activity inhibitor.
J.Mol.Biol., 274, 1997
5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
Descriptor: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Brazell, T.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
1RKR
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BU of 1rkr by Molmil
CRYSTAL STRUCTURE OF AZURIN-I FROM ALCALIGENES XYLOSOXIDANS NCIMB 11015
Descriptor: AZURIN-I, COPPER (II) ION
Authors:Li, C, Inoue, T, Gotowda, M, Suzuki, S, Yamaguchi, K, Kataoka, K, Kai, Y.
Deposit date:1997-05-17
Release date:1998-05-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of azurin I from the denitrifying bacterium Alcaligenes xylosoxidans NCIMB 11015 at 2.45 A resolution.
Acta Crystallogr.,Sect.D, 54, 1998
8YEK
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BU of 8yek by Molmil
Cryo-EM structure of the channelrhodopsin GtCCR2
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GtCCR2, RETINAL
Authors:Tanaka, T, Iida, W, Sano, F.K, Oda, K, Shihoya, W, Nureki, O.
Deposit date:2024-02-22
Release date:2024-09-04
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:The high-light-sensitivity mechanism and optogenetic properties of the bacteriorhodopsin-like channelrhodopsin GtCCR4.
Mol.Cell, 84, 2024
8YEL
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BU of 8yel by Molmil
Cryo-EM structure of the channelrhodopsin GtCCR4
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cation channel rhodopsin 4, RETINAL
Authors:Tanaka, T, Iida, W, Sano, F.K, Oda, K, Shihoya, W, Nureki, O.
Deposit date:2024-02-22
Release date:2024-09-04
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:The high-light-sensitivity mechanism and optogenetic properties of the bacteriorhodopsin-like channelrhodopsin GtCCR4.
Mol.Cell, 84, 2024
8YEJ
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BU of 8yej by Molmil
Cryo-EM structure of the channelrhodopsin GtCCR2 focused on the monomer
Descriptor: GtCCR2, RETINAL
Authors:Tanaka, T, Iida, W, Sano, F.K, Oda, K, Shihoya, W, Nureki, O.
Deposit date:2024-02-22
Release date:2024-09-04
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:The high-light-sensitivity mechanism and optogenetic properties of the bacteriorhodopsin-like channelrhodopsin GtCCR4.
Mol.Cell, 84, 2024
4PPH
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BU of 4pph by Molmil
Crystal structure of conglutin gamma, a unique basic 7S globulin from lupine seeds
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Czubinski, J, Barciszewski, J, Gilski, M, Lampart-Szczapa, E, Jaskolski, M.
Deposit date:2014-02-27
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Structure of gamma-conglutin: insight into the quaternary structure of 7S basic globulins from legumes.
Acta Crystallogr.,Sect.D, 71, 2015
1ZIA
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BU of 1zia by Molmil
OXIDIZED PSEUDOAZURIN
Descriptor: COPPER (II) ION, PSEUDOAZURIN
Authors:Inoue, T, Nishio, N, Hamanaka, S, Shimomura, T, Harada, S, Suzuki, S, Kohzuma, T, Shidara, S, Iwasaki, H, Kai, Y.
Deposit date:1996-04-09
Release date:1997-04-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystallization and preliminary X-ray studies on pseudoazurin from Achromobacter cycloclastes IAM1013.
J.Biochem.(Tokyo), 114, 1993
6AAV
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BU of 6aav by Molmil
Crystal structure of alpha-glucosyl transfer enzyme, XgtA at 1.72 angstrom resolution
Descriptor: Alpha-glucosyltransferase
Authors:Kurumizaka, H, Arimura, Y, Kirimura, K, Watanabe, R.
Deposit date:2018-07-19
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of alpha-glucosyl transfer enzyme XgtA from Xanthomonas campestris WU-9701.
Biochem.Biophys.Res.Commun., 526, 2020
6JXI
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BU of 6jxi by Molmil
Rb+-bound E2-MgF state of the gastric proton pump (Tyr799Trp)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K, Irie, K.
Deposit date:2019-04-23
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A single K + -binding site in the crystal structure of the gastric proton pump.
Elife, 8, 2019
1ZIB
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BU of 1zib by Molmil
REDUCED PSEUDOAZURIN
Descriptor: COPPER (II) ION, PSEUDOAZURIN
Authors:Inoue, T, Nishio, N, Hamanaka, S, Shimomura, T, Harada, S, Suzuki, S, Kohzuma, T, Shidara, S, Iwasaki, H, Kai, Y.
Deposit date:1996-04-09
Release date:1997-04-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallization and preliminary X-ray studies on pseudoazurin from Achromobacter cycloclastes IAM1013.
J.Biochem.(Tokyo), 114, 1993
6JXH
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BU of 6jxh by Molmil
K+-bound E2-MgF state of the gastric proton pump (Tyr799Trp)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K, Irie, K.
Deposit date:2019-04-23
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A single K + -binding site in the crystal structure of the gastric proton pump.
Elife, 8, 2019

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