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7VNH
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BU of 7vnh by Molmil
drosophlia AHR PAS-B domain bound by the antagonist alpha-naphthoflavone
Descriptor: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Ahr homolog spineless
Authors:Dai, S.Y.
Deposit date:2021-10-11
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
6LT0
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BU of 6lt0 by Molmil
cryo-EM structure of C9ORF72-SMCR8-WDR41
Descriptor: Guanine nucleotide exchange C9orf72, Guanine nucleotide exchange protein SMCR8, WD repeat-containing protein 41
Authors:Tang, D, Sheng, J, Xu, L, Zhan, X, Yan, C, Qi, S.
Deposit date:2020-01-21
Release date:2020-04-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of C9ORF72-SMCR8-WDR41 reveals the role as a GAP for Rab8a and Rab11a.
Proc.Natl.Acad.Sci.USA, 117, 2020
7WQV
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BU of 7wqv by Molmil
Crystal structure of a neutralizing monoclonal antibody (Ab08) in complex with SARS-CoV-2 receptor-binding domain (RBD)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab08, ...
Authors:Zha, J, Meng, L, Zhang, X, Li, D.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Spike-destructing human antibody effectively neutralizes Omicron-included SARS-CoV-2 variants with therapeutic efficacy.
Plos Pathog., 19, 2023
4RIK
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BU of 4rik by Molmil
Amyloid forming segment, AVVTGVTAV, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 69-77
Descriptor: Alpha-synuclein
Authors:Guenther, E.L, Sawaya, M.R, Ivanova, M, Eisenberg, D.S.
Deposit date:2014-10-06
Release date:2015-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
4RP7
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BU of 4rp7 by Molmil
Structure of the amyloid-forming segment TIITLE from p53 (residues 253-258)
Descriptor: TIITLE hexapeptide segment from p53, ZINC ION
Authors:Soriaga, A.B, Soragni, A, Eisenberg, D.
Deposit date:2014-10-29
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
4RP6
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BU of 4rp6 by Molmil
Structure of the amyloid-forming segment LTIITLE from p53 (residues 252-258)
Descriptor: LTIITLE heptapeptide segment from p53
Authors:Soriaga, A.B, Soragni, A, Eisenberg, D.
Deposit date:2014-10-29
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
8HLN
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BU of 8hln by Molmil
Crystal structure of p53/BCL2 fusion complex(complex3)
Descriptor: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
Authors:Guo, M, Wei, H, Wang, H, Chen, Y.
Deposit date:2022-11-30
Release date:2023-07-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
4L72
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BU of 4l72 by Molmil
Crystal structure of MERS-CoV complexed with human DPP4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Wang, X.Q, Wang, N.S.
Deposit date:2013-06-13
Release date:2013-08-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Structure of MERS-CoV spike receptor-binding domain complexed with human receptor DPP4
Cell Res., 23, 2013
3KLX
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BU of 3klx by Molmil
Crystal structure of native abscisic acid receptor PYL3
Descriptor: F3N23.20 protein, SULFATE ION
Authors:Zhang, X, Wang, G, Chen, Z.
Deposit date:2009-11-09
Release date:2010-11-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
3KL1
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BU of 3kl1 by Molmil
Crystal structure of abscisic acid receptor PYL2 at 1.55 A
Descriptor: Putative uncharacterized protein At2g26040
Authors:Zhang, X, Wang, G, Chen, Z.
Deposit date:2009-11-06
Release date:2010-11-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
5JWA
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BU of 5jwa by Molmil
the structure of malaria PfNDH2
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ...
Authors:Yu, Y, Yang, Y.Q, Li, X.L, Yu, J, Ge, J.P, Li, J, Rao, Y, Yang, M.J.
Deposit date:2016-05-11
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria
J. Med. Chem., 60, 2017
5JWB
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BU of 5jwb by Molmil
Structure of NDH2 from plasmodium falciparum in complex with NADH
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yu, Y, Li, X.L.
Deposit date:2016-05-12
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria
J. Med. Chem., 60, 2017
5KO0
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BU of 5ko0 by Molmil
Human Islet Amyloid Polypeptide Segment 15-FLVHSSNNFGA-25 Determined by MicroED
Descriptor: THIOCYANATE ION, hIAPP(15-25)WT
Authors:Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S.
Deposit date:2016-06-28
Release date:2016-12-21
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.4 Å)
Cite:Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity.
Elife, 6, 2017
5KNZ
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BU of 5knz by Molmil
Human Islet Amyloid Polypeptide Segment 19-SGNNFGAILSS-29 with Early Onset S20G Mutation Determined by MicroED
Descriptor: hIAPP(residues 19-29)S20G
Authors:Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S.
Deposit date:2016-06-28
Release date:2016-12-21
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.9 Å)
Cite:Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity.
Elife, 6, 2017
7UAK
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BU of 7uak by Molmil
Structure of recombinantly assembled A53E alpha-synuclein fibrils
Descriptor: Alpha-synuclein
Authors:Zhou, K, Zhou, H.
Deposit date:2022-03-13
Release date:2023-03-29
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Cryo-EM structure of amyloid fibril formed by alpha-synuclein hereditary A53E mutation reveals a distinct protofilament interface.
J.Biol.Chem., 299, 2023
4DSB
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BU of 4dsb by Molmil
Complex Structure of Abscisic Acid Receptor PYL3 with (+)-ABA in Spacegroup of I 212121 at 2.70A
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3
Authors:Zhang, X, Zhang, Q, Chen, Z.
Deposit date:2012-02-18
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
4DSC
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BU of 4dsc by Molmil
Complex structure of abscisic acid receptor PYL3 with (+)-ABA in spacegroup of H32 at 1.95A
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3, MAGNESIUM ION
Authors:Zhang, X, Chen, Z.
Deposit date:2012-02-18
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
4DS8
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BU of 4ds8 by Molmil
Complex structure of abscisic acid receptor PYL3-(+)-ABA-HAB1 in the presence of Mn2+
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3, GLYCEROL, ...
Authors:Zhang, X, Zhang, Q, Wang, G, Chen, Z.
Deposit date:2012-02-18
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
7FAS
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BU of 7fas by Molmil
VAR2CSA 3D7 ectodomain core region
Descriptor: Erythrocyte membrane protein 1, PfEMP1
Authors:Wang, L, Zhaoning, W.
Deposit date:2021-07-07
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The molecular mechanism of cytoadherence to placental or tumor cells through VAR2CSA from Plasmodium falciparum.
Cell Discov, 7, 2021
7FAP
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BU of 7fap by Molmil
Structure of VAR2CSA-CSA 3D7
Descriptor: 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-3)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, Erythrocyte membrane protein 1, PfEMP1
Authors:Wang, L, Wang, Z.
Deposit date:2021-07-07
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The molecular mechanism of cytoadherence to placental or tumor cells through VAR2CSA from Plasmodium falciparum.
Cell Discov, 7, 2021
3OJI
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BU of 3oji by Molmil
X-ray crystal structure of the Py13 -pyrabactin complex
Descriptor: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL3, SULFATE ION
Authors:Zhang, X, Zhang, Q, Wang, G, Chen, Z.
Deposit date:2010-08-23
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
3OQU
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BU of 3oqu by Molmil
Crystal structure of native abscisic acid receptor PYL9 with ABA
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL9
Authors:Zhang, X, Zhang, Q, Chen, Z.
Deposit date:2010-09-04
Release date:2011-09-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural Insights into the Abscisic Acid Stereospecificity by the ABA Receptors PYR/PYL/RCAR
Plos One, 8, 2013
5VOS
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BU of 5vos by Molmil
VGSNKGAIIGL from Amyloid Beta determined by MicroED
Descriptor: Amyloid beta A4 protein
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S, Griner, S.L, Gonen, T.
Deposit date:2017-05-03
Release date:2018-01-03
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (1.42 Å)
Cite:Common fibrillar spines of amyloid-beta and human islet amyloid polypeptide revealed by microelectron diffraction and structure-based inhibitors.
J. Biol. Chem., 293, 2018
4FHZ
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BU of 4fhz by Molmil
Crystal structure of a carboxyl esterase at 2.0 angstrom resolution
Descriptor: DI(HYDROXYETHYL)ETHER, Phospholipase/Carboxylesterase, SODIUM ION
Authors:Wu, L, Ma, J, Zhou, J, Yu, H.
Deposit date:2012-06-07
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
4FTW
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BU of 4ftw by Molmil
Crystal structure of a carboxyl esterase N110C/L145H at 2.3 angstrom resolution
Descriptor: 3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, CHLORIDE ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
Authors:Wu, L, Ma, J, Zhou, J, Yu, H.
Deposit date:2012-06-28
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013

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