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5JI1
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BU of 5ji1 by Molmil
Crystal Structure of GDF8
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Growth/differentiation factor 8
Authors:Walker, R.G, Thompson, T.B.
Deposit date:2016-04-21
Release date:2017-03-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for potency differences between GDF8 and GDF11.
BMC Biol., 15, 2017
7YXV
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BU of 7yxv by Molmil
Crystal structure of a tautomerase superfamily member form Acinetobacter baumanii
Descriptor: Anthranilate synthase, CHLORIDE ION, NITRATE ION
Authors:Pankov, G, Hunter, W.N.
Deposit date:2022-02-16
Release date:2022-05-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of a tautomerase superfamily member linked to the type VI secretion system of Acinetobacter baumannii.
Acta Crystallogr.,Sect.F, 79, 2023
1U7P
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BU of 1u7p by Molmil
X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
Descriptor: MAGNESIUM ION, TUNGSTATE(VI)ION, magnesium-dependent phosphatase-1
Authors:Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2004-08-04
Release date:2004-10-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
Biochemistry, 43, 2004
8U77
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BU of 8u77 by Molmil
Crystal structure of Taf14 in complex with Yng1
Descriptor: Protein YNG1, Transcription initiation factor TFIID subunit 14
Authors:Nguyen, M.C, Wei, P.C, Zhang, G.Y, Kutateladze, T.G.
Deposit date:2023-09-14
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Molecular insight into interactions between the Taf14, Yng1 and Sas3 subunits of the NuA3 complex.
Nat Commun, 15, 2024
8GW4
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BU of 8gw4 by Molmil
SARS-CoV-2 Mpro 1-302/C145A in complex with peptide 8-1
Descriptor: Replicase polyprotein 1ab, peptide 8-1
Authors:Liu, M, Huang, H.
Deposit date:2022-09-16
Release date:2023-08-23
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
8GWS
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BU of 8gws by Molmil
SARS-CoV-2 Mpro 1-302 c145a in complex with peptide 4
Descriptor: Replicase polyprotein 1ab, VAL-LYS-LEU-GLN-ALA-ILE-PHE-ARG
Authors:Liu, M, Fu, Z, Huang, H.
Deposit date:2022-09-17
Release date:2023-08-23
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
3L5X
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BU of 3l5x by Molmil
Crystal structure of the complex between IL-13 and H2L6 FAB
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, H2L6 HEAVY CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-22
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
3L5W
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BU of 3l5w by Molmil
Crystal structure of the complex between IL-13 and C836 FAB
Descriptor: C836 HEAVY CHAIN, C836 LIGHT CHAIN, GLYCEROL, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-22
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
3L7F
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BU of 3l7f by Molmil
Structure of IL-13 antibody H2L6, A humanized variant OF C836
Descriptor: CALCIUM ION, H2L6 HEAVY CHAIN, H2L6 LIGHT CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-28
Release date:2010-11-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
7TE7
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BU of 7te7 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with RAD1901
Descriptor: (6R)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
Authors:Joiner, C, Hancock, G, Young, K, Hosfield, D.J, Greene, G.L, Fanning, S.W.
Deposit date:2022-01-04
Release date:2022-01-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022
5APA
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BU of 5apa by Molmil
Crystal structure of human aspartate beta-hydroxylase isoform a
Descriptor: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE, ...
Authors:Krojer, T, Kochan, G, Pfeffer, I, McDonough, M.A, Pilka, E, Hozjan, V, Allerston, C, Muniz, J.R, Chaikuad, A, Gileadi, O, Kavanagh, K, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U.
Deposit date:2015-09-15
Release date:2015-09-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
7KGY
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BU of 7kgy by Molmil
Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide
Descriptor: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL
Authors:Simpson, J.B, Redinbo, M.R.
Deposit date:2020-10-19
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
7KGZ
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BU of 7kgz by Molmil
FMN-binding beta-glucuronidase from Roseburia hominis
Descriptor: Beta-glucuronidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2020-10-19
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
3UGD
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BU of 3ugd by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Protein kinase C delta type, ...
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-11-02
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Biophys.J., 103, 2012
3ME3
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BU of 3me3 by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline, Pyruvate kinase isozymes M1/M2, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-03-31
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
3UGL
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BU of 3ugl by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Descriptor: PHOSPHATE ION, Proteine kinase C delta type, ZINC ION, ...
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-11-02
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.357 Å)
Cite:Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta
Biophys.J., 103, 2012
3UFF
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BU of 3uff by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase Cdelta
Descriptor: PHOSPHATE ION, Protein kinase C delta type, ZINC ION
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-11-01
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Biophys.J., 103, 2012
3UGI
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BU of 3ugi by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Descriptor: (methoxymethyl)cyclopropane, PHOSPHATE ION, Protein kinase C delta type, ...
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-11-02
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.361 Å)
Cite:Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta
Biophys.J., 103, 2012
3FM9
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BU of 3fm9 by Molmil
Analysis of the Structural Determinants Underlying Discrimination between Substrate and Solvent in beta-Phosphoglucomutase Catalysis
Descriptor: Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Finci, L, Lahiri, S, Peisach, E, Allen, K.N.
Deposit date:2008-12-19
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Analysis of the structural determinants underlying discrimination between substrate and solvent in beta-phosphoglucomutase catalysis.
Biochemistry, 48, 2009
1U7O
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BU of 1u7o by Molmil
Magnesium Dependent Phosphatase 1 (MDP-1)
Descriptor: ACETATE ION, magnesium-dependent phosphatase-1
Authors:Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2004-08-04
Release date:2004-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray crystal structure of the hypothetical phosphotyrosine phosphatase MDP-1 of the haloacid dehalogenase superfamily
Biochemistry, 43, 2004
8TBQ
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BU of 8tbq by Molmil
The crystal structure of human VISTA extra cellular domain in complex with Fab fragment of pH-selective anti-VISTA antibody
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, SNS-101 Fab heavy chain, ...
Authors:van der Horst, E.H, Mukherjee, A, Thisted, T.
Deposit date:2023-06-29
Release date:2024-03-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.593 Å)
Cite:VISTA checkpoint inhibition by pH-selective antibody SNS-101 with optimized safety and pharmacokinetic profiles enhances PD-1 response.
Nat Commun, 15, 2024
4BAE
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BU of 4bae by Molmil
Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis
Descriptor: 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid, CALCIUM ION, DNA GYRASE SUBUNIT B, ...
Authors:Read, J.A, Gingell, H.G, Madhavapeddi, P.
Deposit date:2012-09-13
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis.
Antimicrob.Agents Chemother., 58, 2014
7XV9
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BU of 7xv9 by Molmil
Crystal structure of the Human TR4 DNA-Binding Domain
Descriptor: Nuclear receptor subfamily 2 group C member 2, ZINC ION
Authors:Liu, Y, Chen, Z.
Deposit date:2022-05-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
7XV8
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BU of 7xv8 by Molmil
Crystal structure of the Human TR4 DNA-Binding Domain Homodimer Bound to DR1 Response Element
Descriptor: DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*A)-3'), Nuclear receptor subfamily 2 group C member 2, ...
Authors:Liu, Y, Chen, Z.
Deposit date:2022-05-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
7XV6
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BU of 7xv6 by Molmil
Crystal structure of the Human TR4 DNA-Binding Domain with C-terminal extension (DBD-CTE) Homodimer Bound to DR1 Response Element
Descriptor: DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*A)-3'), NR2C2 protein, ...
Authors:Liu, Y, Chen, Z.
Deposit date:2022-05-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023

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