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6BAN
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BU of 6ban by Molmil
Potent and Selective Antitumor Activity of a T-Cell Engaging Bispecific Antibody Targeting a Membrane-Proximal Epitope of ROR1
Descriptor: Inactive tyrosine-protein kinase transmembrane receptor ROR1, Variable domain R11 Heavy chain, Variable domain of R11 Light Chain
Authors:Park, H, Rader, C.
Deposit date:2017-10-14
Release date:2018-06-13
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent and selective antitumor activity of a T cell-engaging bispecific antibody targeting a membrane-proximal epitope of ROR1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5JJA
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BU of 5jja by Molmil
Crystal structure of a PP2A B56gamma/BubR1 complex
Descriptor: Mitotic checkpoint serine/threonine-protein kinase BUB1 beta, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform
Authors:Wang, Z, Wang, J, Rao, Z, Xu, W.
Deposit date:2016-04-22
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of a PP2A B56-BubR1 complex and its implications for PP2A substrate recruitment and localization.
Protein Cell, 7, 2016
6VBN
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BU of 6vbn by Molmil
Crystal Structure of hTDO2 bound to inhibitor GNE1
Descriptor: 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase
Authors:Harris, S.F, Oh, A.
Deposit date:2019-12-19
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.
Acs Med.Chem.Lett., 11, 2020
5K24
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BU of 5k24 by Molmil
Crystal structure of the complex between phosphatase PRL-2 in the oxidized state with the Bateman domain of murine magnesium transporter CNNM3
Descriptor: CITRATE ANION, Metal transporter CNNM3, Protein tyrosine phosphatase type IVA 2
Authors:Kozlov, G, Gulerez, I, Gehring, K.
Deposit date:2016-05-18
Release date:2016-10-12
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:PRL3 phosphatase active site is required for binding the putative magnesium transporter CNNM3.
Sci Rep, 7, 2017
5JYK
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BU of 5jyk by Molmil
Deg9 crystal under 289K
Descriptor: GLYCEROL, Protease Do-like 9
Authors:Ouyang, M, Zhang, L.X.
Deposit date:2016-05-14
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
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
5K25
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BU of 5k25 by Molmil
Crystal structure of human phosphatase PRL-2 in complex with the ADP-bound Bateman domain of human magnesium transporter CNNM3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Metal transporter CNNM3, Protein tyrosine phosphatase type IVA 2
Authors:Gulerez, I, Kozlov, G, Gehring, K.
Deposit date:2016-05-18
Release date:2016-10-12
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:PRL3 phosphatase active site is required for binding the putative magnesium transporter CNNM3.
Sci Rep, 7, 2017
5K23
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BU of 5k23 by Molmil
Crystal structure of the complex between human phosphatase PRL-2 in the oxidized state with the Bateman domain of human magnesium transporter CNNM3
Descriptor: Metal transporter CNNM3, Protein tyrosine phosphatase type IVA 2
Authors:Gulerez, I, Kozlov, G, Gehring, K.
Deposit date:2016-05-18
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:PRL3 phosphatase active site is required for binding the putative magnesium transporter CNNM3.
Sci Rep, 7, 2017
6WH9
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BU of 6wh9 by Molmil
Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 1D10
Descriptor: 1D10 (Fab heavy chain), 1D10 (Fab light chain), KR1, ...
Authors:Cogan, D.P, Mathews, I.I, Khosla, C.
Deposit date:2020-04-07
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
J.Am.Chem.Soc., 142, 2020
3FW5
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BU of 3fw5 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric 4-methyl-catechol
Descriptor: 4-METHYLCATECHOL, CHLORIDE ION, FE (III) ION, ...
Authors:Clifton, M.C, Strong, R.K.
Deposit date:2009-01-16
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
3FW4
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BU of 3fw4 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol
Descriptor: CATECHOL, CHLORIDE ION, FE (III) ION, ...
Authors:Clifton, M.C, Strong, R.K.
Deposit date:2009-01-16
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
6W7S
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BU of 6w7s by Molmil
Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 2G10
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2G10 (Fab heavy chain), 2G10 (Fab light chain), ...
Authors:Cogan, D.P, Mathews, I.I, Khosla, C.
Deposit date:2020-03-19
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
J.Am.Chem.Soc., 142, 2020
8K4Q
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BU of 8k4q by Molmil
Crystal structure of nanobody HuNb103 bound to human interleukin-4 receptor subunit alpha
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IL-4R nanobody HuNb103, ...
Authors:Ding, Y, Zhong, P.Y.
Deposit date:2023-07-20
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:A Novel Inhalable Nanobody Targeting IL-4R alpha for the Treatment of Asthma.
J.Allergy Clin.Immunol., 2024
2O3C
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BU of 2o3c by Molmil
Crystal structure of zebrafish Ape
Descriptor: APEX nuclease 1, LEAD (II) ION
Authors:Georgiadis, M.M, Gaur, R.K, Delaplane, S, Svenson, J.
Deposit date:2006-12-01
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolution of the redox function in mammalian apurinic/apyrimidinic endonuclease
Mutat.Res., 643, 2008
6IHB
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BU of 6ihb by Molmil
Adeno-Associated Virus 2 in complex with AAVR
Descriptor: Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein
Authors:Lou, Z.Y, Zhang, R.
Deposit date:2018-09-29
Release date:2019-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Adeno-associated virus 2 bound to its cellular receptor AAVR.
Nat Microbiol, 4, 2019
2O3H
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BU of 2o3h by Molmil
Crystal structure of the human C65A Ape
Descriptor: ACETATE ION, DNA-(apurinic or apyrimidinic site) lyase, SAMARIUM (III) ION
Authors:Georgiadis, M.M, Gaur, R.K, Delaplane, S, Svenson, J.
Deposit date:2006-12-01
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evolution of the redox function in mammalian apurinic/apyrimidinic endonuclease
Mutat.Res., 643, 2008
6IH9
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BU of 6ih9 by Molmil
Adeno-Associated Virus 2 at 2.8 ang
Descriptor: Capsid protein VP1
Authors:Lou, Z.Y, Zhang, R.
Deposit date:2018-09-29
Release date:2019-07-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Adeno-associated virus 2 bound to its cellular receptor AAVR.
Nat Microbiol, 4, 2019
6KI8
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BU of 6ki8 by Molmil
Pyrophosphatase mutant K149R from Acinetobacter baumannii
Descriptor: DIPHOSPHATE, Inorganic pyrophosphatase, MAGNESIUM ION
Authors:Su, J.
Deposit date:2019-07-17
Release date:2019-10-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
6WAA
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BU of 6waa by Molmil
K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ...
Authors:Noeske, J, Shu, W, Bellamacina, C.
Deposit date:2020-03-24
Release date:2020-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
6KJW
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BU of 6kjw by Molmil
Galectin-13 variant C136S
Descriptor: Galactoside-binding soluble lectin 13
Authors:Su, J.
Deposit date:2019-07-23
Release date:2019-10-16
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
2I03
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BU of 2i03 by Molmil
Crystal structure of human dipeptidyl peptidase 4 (DPP IV) with potent alkynyl cyanopyrrolidine (ABT-279)
Descriptor: 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID, Dipeptidyl peptidase 4
Authors:Longenecker, K.L, Madar, D.J.
Deposit date:2006-08-09
Release date:2006-12-12
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of 2-[4-{{2-(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]- 4-methyl-1-piperidinyl]-4-pyridinecarboxylic acid (ABT-279): a very potent, selective, effective, and well-tolerated inhibitor of dipeptidyl peptidase-IV, useful for the treatment of diabetes.
J.Med.Chem., 49, 2006
6WHO
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BU of 6who by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WHN
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BU of 6whn by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WHQ
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BU of 6whq by Molmil
Histone deacetylases complex with peptide macrocycles
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
Authors:Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WSJ
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BU of 6wsj by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2020-05-01
Release date:2021-04-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021

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