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7LUD
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BU of 7lud by Molmil
Crystal structure of Fab ADI-14442
Descriptor: ADI-14442 Fab Heavy chain, ADI-14442 Fab Light chain, SULFATE ION
Authors:Rush, S.A, McLellan, J.S.
Deposit date:2021-02-22
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Vaccination with prefusion-stabilized respiratory syncytial virus fusion protein induces genetically and antigenically diverse antibody responses.
Immunity, 54, 2021
4GE6
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BU of 4ge6 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 7
Descriptor: N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alaninamide, Tyrosine-protein phosphatase non-receptor type 9
Authors:Zhang, Z.-Y, Liu, S, Zhang, S.
Deposit date:2012-08-01
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012
3OLD
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BU of 3old by Molmil
Crystal structure of alpha-amylase in complex with acarviostatin I03
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ...
Authors:Qin, X, Ren, L.
Deposit date:2010-08-26
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes
J.Struct.Biol., 174, 2011
1XCA
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BU of 1xca by Molmil
APO-CELLULAR RETINOIC ACID BINDING PROTEIN II
Descriptor: CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II
Authors:Chen, X, Ji, X.
Deposit date:1996-12-31
Release date:1998-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of apo-cellular retinoic acid-binding protein type II (R111M) suggests a mechanism of ligand entry.
J.Mol.Biol., 278, 1998
3OLG
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BU of 3olg by Molmil
Structures of human pancreatic alpha-amylase in complex with acarviostatin III03
Descriptor: (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, CALCIUM ION, CHLORIDE ION, ...
Authors:Qin, X, Ren, L.
Deposit date:2010-08-26
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
3OLE
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BU of 3ole by Molmil
Structures of human pancreatic alpha-amylase in complex with acarviostatin II03
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ...
Authors:Qin, X, Ren, L.
Deposit date:2010-08-26
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
3H0I
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BU of 3h0i by Molmil
human Fyn SH3 domain R96I mutant, crystal form II
Descriptor: Proto-oncogene tyrosine-protein kinase Fyn
Authors:Dumas, C, Strub, M.-P, Arold, S.T.
Deposit date:2009-04-09
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
3H0H
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BU of 3h0h by Molmil
human Fyn SH3 domain R96I mutant, crystal form I
Descriptor: Proto-oncogene tyrosine-protein kinase Fyn, TETRAETHYLENE GLYCOL
Authors:Dumas, C, Strub, M.-P, Arold, S.T.
Deposit date:2009-04-09
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
3MOW
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BU of 3mow by Molmil
Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1
Descriptor: (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, Tyrosine-protein phosphatase non-receptor type 11
Authors:Zhang, Z.-Y, Liu, S, Yu, Z, Yu, X.
Deposit date:2010-04-23
Release date:2011-05-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1
To be Published
5J5S
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BU of 5j5s by Molmil
Src kinase in complex with a sulfonamide inhibitor
Descriptor: N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src
Authors:Lebedev, I, Feldman, H.C, Georghiou, G, Maly, D.J, Seeliger, M.
Deposit date:2016-04-03
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Structural and Functional Analysis of the Allosteric Modulation of IRE1a with ATP-Competitive Kinase Inhibitors
To Be Published
2KIQ
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BU of 2kiq by Molmil
Solution structure of the FF Domain 2 of human transcription elongation factor CA150
Descriptor: Transcription elongation regulator 1
Authors:Zeng, J, Boyles, J, Tripathy, C, Yan, A, Zhou, P, Donald, B.R.
Deposit date:2009-05-07
Release date:2009-07-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-resolution protein structure determination starting with a global fold calculated from exact solutions to the RDC equations.
J.Biomol.Nmr, 45, 2009
7DQ9
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BU of 7dq9 by Molmil
Crystal structure of a type-A feruloyl esterase from gut Alistipes shahii
Descriptor: Predicted hydrolases or acyltransferases (Alpha/beta hydrolase superfamily)
Authors:Wei, X, Gu, T.Y, Xin, F.J, Wang, Y.L.
Deposit date:2020-12-22
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:The alpha-Helical Cap Domain of a Novel Esterase from Gut Alistipes shahii Shaping the Substrate-Binding Pocket.
J.Agric.Food Chem., 69, 2021
8GRR
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BU of 8grr by Molmil
Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W125
Descriptor: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
Authors:He, Y, Kun, L.
Deposit date:2022-09-02
Release date:2023-10-11
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
7C53
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BU of 7c53 by Molmil
Crystal Structure of SARS-CoV-2 HR1 motif in complex with pan-CoVs inhibitor EK1
Descriptor: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
Authors:Zhu, Y, Yang, X, Sun, F.
Deposit date:2020-05-19
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation.
Signal Transduct Target Ther, 6, 2021
3QJZ
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BU of 3qjz by Molmil
Crystal structure of PI3K-gamma in complex with benzothiazole 1
Descriptor: N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2011-01-31
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
8HW4
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BU of 8hw4 by Molmil
Cryo-EM structure of dehydroepiandrosterone sulfate-bound human ABC transporter ABCC3 in nanodiscs
Descriptor: 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, ATP-binding cassette sub-family C member 3
Authors:Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z.
Deposit date:2022-12-28
Release date:2023-06-07
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
8HW2
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BU of 8hw2 by Molmil
Cryo-EM structure of beta-estradiol 17-(beta-D-glucuronide)-bound human ABC transporter ABCC3 in nanodiscs
Descriptor: ATP-binding cassette sub-family C member 3, Estradiol-17beta-glucuronide
Authors:Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z.
Deposit date:2022-12-28
Release date:2023-06-07
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
8HVH
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BU of 8hvh by Molmil
Cryo-EM structure of ABC transporter ABCC3
Descriptor: ATP-binding cassette sub-family C member 3
Authors:Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z.
Deposit date:2022-12-26
Release date:2023-06-07
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
6ISM
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BU of 6ism by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
Descriptor: Butyrophilin subfamily 3 member A1
Authors:Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
Deposit date:2018-11-16
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6J0L
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BU of 6j0l by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with sulfate ion
Descriptor: Butyrophilin subfamily 3 member A3, SULFATE ION
Authors:Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
Deposit date:2018-12-24
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
5YK3
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BU of 5yk3 by Molmil
human Ragulator complex
Descriptor: Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, Ragulator complex protein LAMTOR3, ...
Authors:Wu, G, Mu, Z.
Deposit date:2017-10-12
Release date:2019-01-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural insight into the Ragulator complex which anchors mTORC1 to the lysosomal membrane
Cell Discov, 3, 2017
5U5H
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BU of 5u5h by Molmil
Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
Descriptor: (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED
Authors:Bussiere, D, Shu, W.
Deposit date:2016-12-06
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
6J0K
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BU of 6j0k by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3
Authors:Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
Deposit date:2018-12-24
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
5U62
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BU of 5u62 by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 6-(benzo[d][1,3]dioxol-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
Descriptor: (6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ...
Authors:Bussiere, D, Shu, W.
Deposit date:2016-12-07
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
2JBH
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BU of 2jbh by Molmil
Human phosphoribosyl transferase domain containing 1
Descriptor: CALCIUM ION, GUANOSINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ...
Authors:Welin, M, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Eklund, H, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P.
Deposit date:2006-12-07
Release date:2006-12-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Functional Studies of the Human Phosphoribosyltransferase Domain Containing Protein 1.
FEBS J., 277, 2010

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