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6W4C
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Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5
Descriptor: 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:Ferguson, A.D.
Deposit date:2020-03-10
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
3NKP
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BU of 3nkp by Molmil
Crystal structure of mouse autotaxin in complex with 18:1-LPA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O.
Deposit date:2010-06-20
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
5WXH
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BU of 5wxh by Molmil
Crystal structure of TAF3 PHD finger bound to H3K4me3
Descriptor: Histone H3K4me3, Transcription initiation factor TFIID subunit 3, ZINC ION
Authors:Zhao, S, Huang, J, Li, H.
Deposit date:2017-01-07
Release date:2017-08-16
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.297 Å)
Cite:Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6VTP
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BU of 6vtp by Molmil
Crystal structure of G16C human Galectin-7 mutant
Descriptor: GLYCEROL, Galectin-7
Authors:Pham, N.T.H, Calmettes, C, Doucet, N.
Deposit date:2020-02-13
Release date:2021-08-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
6VTR
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BU of 6vtr by Molmil
Crystal structure of G16S human Galectin-7 mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Galectin-7
Authors:Pham, N.T.H, Calmettes, C, Doucet, N.
Deposit date:2020-02-13
Release date:2021-08-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
5WZM
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BU of 5wzm by Molmil
Crystal structure of human secreted phospholipase A2 group IIE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Hou, S, Xu, J, Xu, T, Liu, J.
Deposit date:2017-01-18
Release date:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
3W13
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BU of 3w13 by Molmil
Insulin receptor ectodomain construct comprising domains L1-CR in complex with high-affinity insulin analogue [D-PRO-B26]-DTI-NH2, alphact peptide(693-719) and FAB 83-7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
Authors:Lawrence, M.C, Smith, B.J, Brzozowski, A.M.
Deposit date:2012-11-06
Release date:2013-01-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (4.303 Å)
Cite:How insulin engages its primary binding site on the insulin receptor
Nature, 493, 2013
8IP2
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BU of 8ip2 by Molmil
Escherichia coli OpgG mutant-D361N with beta-1,2-glucan
Descriptor: Glucans biosynthesis protein G, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose
Authors:Motouchi, S, Nakajima, M.
Deposit date:2023-03-13
Release date:2024-03-13
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Identification of enzymatic functions of osmo-regulated periplasmic glucan biosynthesis proteins from Escherichia coli reveals a novel glycoside hydrolase family.
Commun Biol, 6, 2023
6WM1
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BU of 6wm1 by Molmil
Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl
Descriptor: ACE-PTR-02K-ASN-PRA, CALCIUM ION, CHLORIDE ION, ...
Authors:Martin, S.F, Clements, J.H.
Deposit date:2020-04-20
Release date:2020-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions.
Eur.J.Med.Chem., 208, 2020
8IWD
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BU of 8iwd by Molmil
Aspergillus niger Rha-2
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:Li, L.J, Li, L, Wang, M.H, Jiang, Z.D, Zhu, Y.B, Jin, T.C, Ni, H.
Deposit date:2023-03-29
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal structure and catalytic function of alpha-L-rhamnosidase from Aspergillus niger
To Be Published
8J0N
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BU of 8j0n by Molmil
cryo-EM structure of human EMC
Descriptor: ER membrane protein complex subunit 1, ER membrane protein complex subunit 10, ER membrane protein complex subunit 2, ...
Authors:Li, M, Zhang, C, Wu, J, Lei, M.
Deposit date:2023-04-11
Release date:2024-04-03
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural insights into human EMC and its interaction with VDAC.
Aging (Albany NY), 16, 2024
8J74
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BU of 8j74 by Molmil
Human high-affinity choline transporter CHT1 in the HC-3-bound outward-facing open conformation, dimeric state
Descriptor: (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), CHOLESTEROL HEMISUCCINATE, HEXADECANE, ...
Authors:Gao, Y, Qiu, Y, Zhao, Y.
Deposit date:2023-04-27
Release date:2024-04-03
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Transport mechanism of presynaptic high-affinity choline uptake by CHT1.
Nat.Struct.Mol.Biol., 31, 2024
3IJY
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BU of 3ijy by Molmil
Structure of S67-27 in Complex with Kdo(2.8)Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Immunoglobulin heavy chain (IGG3), Immunoglobulin light chain (IGG3), ...
Authors:Brooks, C.L, Blackler, R.J, Evans, S.V.
Deposit date:2009-08-05
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The role of CDR H3 in antibody recognition of a synthetic analog of a lipopolysaccharide antigen.
Glycobiology, 20, 2010
5J35
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BU of 5j35 by Molmil
Protruding domain of GII.4 human norovirus NSW0514 in complex with 2-fucosyllactose (2'FL)
Descriptor: 1,2-ETHANEDIOL, VP1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2016-03-30
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural basis for GII.4 norovirus inhibition by human milk oligosaccharides.
To be published
8CWI
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BU of 8cwi by Molmil
Fab arm of antibody 10G4 bound to CoV-2 receptor binding domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Heavy chain of Fab arm of antibody 10G4, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2022-05-19
Release date:2023-05-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.873 Å)
Cite:Neutralization of CoV-2 omicron lineages by affinity-matured class 5 antibodies
To Be Published
8CWJ
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BU of 8cwj by Molmil
Fab arms of antibodies 4C12-B12 and CR3022 bound to pangolin receptor binding domain (pRBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2022-05-19
Release date:2023-05-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Neutralization of CoV-2 omicron lineages by affinity-matured class 5 antibodies
To Be Published
6DF3
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BU of 6df3 by Molmil
Crystal structure of ternary complex of IL-24 with soluble receptors IL-22RA and IL-20RB
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2018-05-14
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of the Labile Complex of IL-24 with the Extracellular Domains of IL-22R1 and IL-20R2.
J. Immunol., 201, 2018
8IWF
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BU of 8iwf by Molmil
Aspergillus niger Rha-2 and pNPR
Descriptor: (2S,3R,4R,5R,6S)-2-methyl-6-[4-[oxidanyl(oxidanylidene)-$l^4-azanyl]phenoxy]oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, L.J, Li, L, Wang, M.H, Jiang, Z.D, Zhu, Y.B, Jin, T.C, Ni, H.
Deposit date:2023-03-29
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Crystal structure and catalytic function of alpha-L-rhamnosidase from Aspergillus niger
To Be Published
3VSZ
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BU of 3vsz by Molmil
Crystal structure of Ct1,3Gal43A in complex with galactan
Descriptor: GLYCEROL, Ricin B lectin, beta-D-galactopyranose-(1-3)-beta-D-galactopyranose, ...
Authors:Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C.
Deposit date:2012-05-18
Release date:2012-12-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.893 Å)
Cite:Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
4XWN
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BU of 4xwn by Molmil
Complex structure of catalytic domain of Clostridium Cellulovorans Exgs and Cellotetraose
Descriptor: CALCIUM ION, Exoglucanase S, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
Authors:Liaw, Y.-C.
Deposit date:2015-01-29
Release date:2015-10-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.884 Å)
Cite:Structures of exoglucanase from Clostridium cellulovorans: cellotetraose binding and cleavage
Acta Crystallogr.,Sect.F, 71, 2015
8J0O
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BU of 8j0o by Molmil
cryo-EM structure of human EMC and VDAC
Descriptor: ER membrane protein complex subunit 1, ER membrane protein complex subunit 10, ER membrane protein complex subunit 2, ...
Authors:Li, M, Zhang, C, Wu, J, Lei, M.
Deposit date:2023-04-11
Release date:2024-04-03
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structural insights into human EMC and its interaction with VDAC.
Aging (Albany NY), 16, 2024
7TTY
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BU of 7tty by Molmil
Crystal structure of potent neutralizing antibody 10-40 in complex with bat WIV1 receptor-binding domain
Descriptor: 1040 heavy chain, 1040 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2022-02-02
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
8J75
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BU of 8j75 by Molmil
Human high-affinity choline transporter CHT1 in the HC-3-bound outward-facing open conformation, monomeric state
Descriptor: (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), High affinity choline transporter 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gao, Y, Qiu, Y, Zhao, Y.
Deposit date:2023-04-27
Release date:2024-04-10
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Transport mechanism of presynaptic high-affinity choline uptake by CHT1.
Nat.Struct.Mol.Biol., 31, 2024
8J76
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BU of 8j76 by Molmil
Human high-affinity choline transporter CHT1 in the inward-facing apo-open conformation
Descriptor: High affinity choline transporter 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gao, Y, Qiu, Y, Zhao, Y.
Deposit date:2023-04-27
Release date:2024-04-10
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Transport mechanism of presynaptic high-affinity choline uptake by CHT1.
Nat.Struct.Mol.Biol., 31, 2024
5X9G
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BU of 5x9g by Molmil
Crystal structure of the cytosolic domain of the Mg2+ channel MgtE in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Magnesium transporter MgtE
Authors:Tomita, A, Hattori, M, Nureki, O.
Deposit date:2017-03-07
Release date:2017-08-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:ATP-dependent modulation of MgtE in Mg(2+) homeostasis
Nat Commun, 8, 2017

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