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7CP2
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BU of 7cp2 by Molmil
Crystal structure of the African swine fever virus core shell protein p15
Descriptor: CP530R
Authors:Liu, K.F, Meng, Y.M, Chai, Y, Li, L.J, Sun, H, Gao, G.F, Tan, S.G, Qi, J.X.
Deposit date:2020-08-05
Release date:2020-10-28
Last modified:2021-05-19
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal structure of the African swine fever virus core shell protein p15
Biosaf Health, 2021
7CU5
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BU of 7cu5 by Molmil
N-Glycosylation of PD-1 and glycosylation dependent binding of PD-1 specific monoclonal antibody camrelizumab
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, Programmed cell death protein 1, ...
Authors:Liu, K.F, Tan, S.G, Jin, W.J, Guan, J.W, Wang, W.L, Sun, H, Qi, J.X, Yan, J.H, Chai, Y, Wang, Z.F, Chu, X.D, Gao, G.F.
Deposit date:2020-08-21
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:N-glycosylation of PD-1 promotes binding of camrelizumab.
Embo Rep., 21, 2020
8HTU
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BU of 8htu by Molmil
Cryo-EM structure of PpPSI-L
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Li, M, Pan, X.W, Sun, H.Y.
Deposit date:2022-12-21
Release date:2023-08-02
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Structural insights into the assembly and energy transfer of the Lhcb9-dependent photosystem I from moss Physcomitrium patens.
Nat.Plants, 9, 2023
5B6I
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BU of 5b6i by Molmil
Structure of fluorinase from Streptomyces sp. MA37
Descriptor: ADENOSINE, Fluorinase, METHIONINE
Authors:Xue, B, Robinson, R.C.
Deposit date:2016-05-29
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Directed Evolution of a Fluorinase for Improved Fluorination Efficiency with a Non-native Substrate
Angew.Chem.Int.Ed.Engl., 55, 2016
8JUB
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BU of 8jub by Molmil
Crystal structure of glutaminase C in complex with compound 27
Descriptor: 3-[2-oxidanylidene-2-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid, Glutaminase kidney isoform, mitochondrial
Authors:Wang, X, Hanyu, S, Tingting, D.
Deposit date:2023-06-26
Release date:2023-10-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8JUE
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BU of 8jue by Molmil
Crystal structure of glutaminase C in complex with compound 11
Descriptor: 2-(3-phenoxyphenyl)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial
Authors:Wang, X, Hanyu, S, Tingting, D.
Deposit date:2023-06-26
Release date:2023-10-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors.
Acs Med.Chem.Lett., 14, 2023
2JK7
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BU of 2jk7 by Molmil
XIAP BIR3 bound to a Smac Mimetic
Descriptor: (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE, BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, ZINC ION
Authors:Saito, N.G, Meagher, J.L, Stuckey, J.A.
Deposit date:2008-08-21
Release date:2008-11-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structure-Based Design, Synthesis, Evaluation, and Crystallographic Studies of Conformationally Constrained Smac Mimetics as Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (Xiap).
J.Med.Chem., 51, 2008
7YE5
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BU of 7ye5 by Molmil
SARS-CoV-2 Spike (6P) in complex with 2 R1-32 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
Deposit date:2022-07-05
Release date:2022-08-24
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (6.75 Å)
Cite:SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
6J6M
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BU of 6j6m by Molmil
Co-crystal structure of BTK kinase domain with Zanubrutinib
Descriptor: (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK
Authors:Zhou, X, Hong, Y.
Deposit date:2019-01-15
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
7KXD
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BU of 7kxd by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 peptide chimera, {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
Authors:Sack, J.
Deposit date:2020-12-03
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7KXE
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BU of 7kxe by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
Descriptor: N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
Authors:Sack, J.
Deposit date:2020-12-03
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7KXF
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BU of 7kxf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
Descriptor: N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
Authors:Sack, J.
Deposit date:2020-12-03
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
8JBJ
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BU of 8jbj by Molmil
Crystal structure of anti-PVRIG Fab
Descriptor: antibody heavy chain, antibody light chain
Authors:Sun, J, Li, X.L, Song, J.
Deposit date:2023-05-09
Release date:2023-06-21
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Identification and characterization of an unexpected isomerization motif in CDRH2 that affects antibody activity.
Mabs, 15, 2023
2H80
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BU of 2h80 by Molmil
NMR structures of SAM domain of Deleted in Liver Cancer 2 (DLC2)
Descriptor: StAR-related lipid transfer protein 13
Authors:Li, H.Y, Fung, K.L, Jin, D.Y, Chung, S.S, Ko, B.C, Sun, H.Z.
Deposit date:2006-06-06
Release date:2007-05-15
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution structures, dynamics, and lipid-binding of the sterile alpha-motif domain of the deleted in liver cancer 2
Proteins, 67, 2007
6U6T
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BU of 6u6t by Molmil
Neuronal growth regulator 1 (NEGR1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuronal growth regulator 1, ...
Authors:Machius, M, Venkannagari, H, Misra, A, Rudenko, G.
Deposit date:2019-08-30
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes.
J.Mol.Biol., 432, 2020
1BU3
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BU of 1bu3 by Molmil
REFINED CRYSTAL STRUCTURE OF CALCIUM-BOUND SILVER HAKE (PI 4.2) PARVALBUMIN AT 1.65 A.
Descriptor: CALCIUM ION, CALCIUM-BINDING PROTEIN
Authors:Richardson, R.C, Nelson, D.J, Royer, W.E, Harrington, D.J.
Deposit date:1998-08-30
Release date:1999-08-10
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-Ray crystal structure and molecular dynamics simulations of silver hake parvalbumin (Isoform B).
Protein Sci., 9, 2000
6U7N
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BU of 6u7n by Molmil
Crystal structure of neurotrimin (NTM)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Neurotrimin, ...
Authors:Machius, M, Venkannagari, H, Misra, A, Rudenko, G, Rush, S.
Deposit date:2019-09-03
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.321 Å)
Cite:Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes.
J.Mol.Biol., 432, 2020
2XEM
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BU of 2xem by Molmil
Induced-fit and allosteric effects upon polyene binding revealed by crystal structures of the Dynemicin thioesterase
Descriptor: (3E,5E,7E,9E,11E,13E)-pentadeca-3,5,7,9,11,13-hexaen-2-one, DYNE7
Authors:Liew, C.W, Sharff, A, Kotaka, M, Kong, R, Bricogne, G, Liang, Z.X, Lescar, J.
Deposit date:2010-05-17
Release date:2010-10-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Induced-Fit Upon Ligand Binding Revealed by Crystal Structures of the Hot-Dog Fold Thioesterase in Dynemicin Biosynthesis.
J.Mol.Biol., 404, 2010
4ZNQ
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BU of 4znq by Molmil
Crystal structure of Dln1 complexed with Man(alpha1-2)Man
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
Deposit date:2015-05-05
Release date:2016-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
4ZNO
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BU of 4zno by Molmil
Crystal structure of Dln1 complexed with sucrose
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Natterin-like protein, ...
Authors:Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
Deposit date:2015-05-05
Release date:2016-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
4ZNR
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BU of 4znr by Molmil
Crystal structure of Dln1 complexed with Man(alpha1-3)Man
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
Deposit date:2015-05-05
Release date:2016-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
3HH8
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BU of 3hh8 by Molmil
Crystal Structure and metal binding properties of the lipoprotein MtsA
Descriptor: FE (III) ION, Metal ABC transporter substrate-binding lipoprotein
Authors:Baker, E.N, Baker, H.M, Sun, X, Ye, Q.-Y.
Deposit date:2009-05-15
Release date:2009-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure and metal binding properties of the lipoprotein MtsA, responsible for iron transport in Streptococcus pyogenes.
Biochemistry, 48, 2009
7YUY
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BU of 7yuy by Molmil
Structure of a mutated membrane-bound glycosyltransferase
Descriptor: (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J.
Deposit date:2022-08-18
Release date:2023-03-29
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1.
Nature, 616, 2023
7P4B
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BU of 7p4b by Molmil
HLA-E*01:03 in complex with IL9
Descriptor: Beta-2-microglobulin, ESAT-6-like protein EsxH, GLYCEROL, ...
Authors:Walters, L.C, Gillespie, G.M.
Deposit date:2021-07-10
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Primary and secondary functions of HLA-E are determined by stability and conformation of the peptide-bound complexes.
Cell Rep, 39, 2022
7PA0
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BU of 7pa0 by Molmil
NaK C-DI F92A mutant with Rb+ and K+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
Authors:Minniberger, S, Plested, A.J.R.
Deposit date:2021-07-28
Release date:2022-08-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023

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