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8HC2
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BU of 8hc2 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 1 YB9-258 Fab (1 RBD up)
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 YB9-258 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (6.21 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
7M2K
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BU of 7m2k by Molmil
CDC34A-Ubiquitin-2ab inhibitor complex
Descriptor: 4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide, Ubiquitin, Ubiquitin-conjugating enzyme E2 R1
Authors:Ceccarelli, D.F, St-Cyr, D, Tyers, M, Sicheri, F.
Deposit date:2021-03-16
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Identification and optimization of molecular glue compounds that inhibit a noncovalent E2 enzyme-ubiquitin complex.
Sci Adv, 7, 2021
5I5D
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BU of 5i5d by Molmil
Salmonella global domain 245
Descriptor: Inner membrane protein YejM
Authors:Dong, C, Dong, H.
Deposit date:2016-02-15
Release date:2017-04-19
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
5I5H
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BU of 5i5h by Molmil
Ecoli global domain 245-586
Descriptor: Inner membrane protein YejM
Authors:Dong, C, Dong, H.
Deposit date:2016-02-15
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
5I5F
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BU of 5i5f by Molmil
Salmonella global domain 191
Descriptor: Inner membrane protein YejM
Authors:Dong, C, Dong, H.
Deposit date:2016-02-15
Release date:2016-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
5IBK
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BU of 5ibk by Molmil
Skp1-F-box in complex with a ubiquitin variant
Descriptor: F-box/WD repeat-containing protein 7, Polyubiquitin-B, S-phase kinase-associated protein 1,S-phase kinase-associated protein 1
Authors:Orlicky, S, Sicheri, F.
Deposit date:2016-02-22
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Inhibition of SCF ubiquitin ligases by engineered ubiquitin variants that target the Cul1 binding site on the Skp1-F-box interface.
Proc.Natl.Acad.Sci.USA, 113, 2016
4E53
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BU of 4e53 by Molmil
Calmodulin and Nm peptide complex
Descriptor: Calmodulin, Linker, IQ motif of Neuromodulin
Authors:Kumar, V, Sivaraman, J.
Deposit date:2012-03-13
Release date:2013-03-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural basis for the interaction of unstructured neuron specific substrates neuromodulin and neurogranin with calmodulin
Sci Rep, 3, 2013
4E50
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BU of 4e50 by Molmil
Calmodulin and Ng peptide complex
Descriptor: Calmodulin, Linker, IQ motif of Neurogranin
Authors:Kumar, V, Sivaraman, J.
Deposit date:2012-03-13
Release date:2013-03-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the interaction of unstructured neuron specific substrates neuromodulin and neurogranin with calmodulin
Sci Rep, 3, 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
4GEK
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BU of 4gek by Molmil
Crystal Structure of wild-type CmoA from E.coli
Descriptor: (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, SULFATE ION, tRNA (cmo5U34)-methyltransferase
Authors:Kim, J, Toro, R, Bonanno, J.B, Bhosle, R, Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-08-02
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided discovery of the metabolite carboxy-SAM that modulates tRNA function
Nature, 498, 2013
4HEX
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BU of 4hex by Molmil
A novel conformation of calmodulin
Descriptor: CALCIUM ION, Calmodulin, ZINC ION
Authors:Kumar, V, Chichili, V.P.R, Sivaraman, J.
Deposit date:2012-10-04
Release date:2013-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:A novel trans conformation of ligand-free calmodulin
Plos One, 8, 2013
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
7YQE
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BU of 7yqe by Molmil
Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54.
Descriptor: Proto-oncogene tyrosine-protein kinase Src,KiSS-1 receptor
Authors:Song, G, Xu, S.
Deposit date:2022-08-06
Release date:2023-08-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Kisspeptin-10 binding to Gpr54 in osteoclasts prevents bone loss by activating Dusp18-mediated dephosphorylation of Src.
Nat Commun, 15, 2024
6JC7
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BU of 6jc7 by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Ala
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, ACETIC ACID, CrmG, ...
Authors:Xu, J, Su, K, Liu, J.
Deposit date:2019-01-28
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6JC9
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BU of 6jc9 by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Gln
Descriptor: ACETIC ACID, CrmG, GLUTAMINE, ...
Authors:Xu, J, Liu, J.
Deposit date:2019-01-28
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6JCB
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BU of 6jcb by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in C2 space group
Descriptor: CrmG
Authors:Xu, J, Liu, J.
Deposit date:2019-01-28
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6JCA
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BU of 6jca by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in I222 space group
Descriptor: CHLORIDE ION, CrmG, GLYCEROL, ...
Authors:Xu, J, Liu, J.
Deposit date:2019-01-28
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6JC8
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BU of 6jc8 by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Glu
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, CrmG, GLYCEROL
Authors:Xu, J, Liu, J.
Deposit date:2019-01-28
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
4NKH
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BU of 4nkh by Molmil
Crystal structure of SspH1 LRR domain
Descriptor: E3 ubiquitin-protein ligase sspH1
Authors:Keszei, A.F.A, Xiaojing, T, Mccormick, C, Zeqiraj, E, Rohde, J.R, Tyers, M, Sicheri, F.
Deposit date:2013-11-12
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of an SspH1-PKN1 Complex Reveals the Basis for Host Substrate Recognition and Mechanism of Activation for a Bacterial E3 Ubiquitin Ligase.
Mol.Cell.Biol., 34, 2014
4P6X
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BU of 4p6x by Molmil
Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
Deposit date:2014-03-25
Release date:2014-04-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
4NKG
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BU of 4nkg by Molmil
Crystal structure of SspH1 LRR domain in complex PKN1 HR1b domain
Descriptor: E3 ubiquitin-protein ligase sspH1, HEXANE-1,6-DIOL, Serine/threonine-protein kinase N1
Authors:Keszei, A.F.A, Xiaojing, T, Mccormick, C, Zeqiraj, E, Rohde, J.R, Tyers, M, Sicheri, F.
Deposit date:2013-11-12
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of an SspH1-PKN1 Complex Reveals the Basis for Host Substrate Recognition and Mechanism of Activation for a Bacterial E3 Ubiquitin Ligase.
Mol.Cell.Biol., 34, 2014
4QLB
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BU of 4qlb by Molmil
Structural Basis for the Recruitment of Glycogen Synthase by Glycogenin
Descriptor: GLYCEROL, Probable glycogen [starch] synthase, Protein GYG-1, ...
Authors:Zeqiraj, E, Judd, A, Sicheri, F.
Deposit date:2014-06-11
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the recruitment of glycogen synthase by glycogenin.
Proc.Natl.Acad.Sci.USA, 111, 2014
4P6W
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BU of 4p6w by Molmil
Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding domain
Descriptor: Glucocorticoid receptor, MOMETASONE FUROATE, Nuclear receptor coactivator 2
Authors:He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
Deposit date:2014-03-25
Release date:2014-04-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
5ZFJ
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BU of 5zfj by Molmil
Crystal structure of a cyclase Filc from Fischerella sp. in complex with 4-(1H-Indol-3-yl)butan-2-one
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, ...
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-03-06
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A98
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BU of 6a98 by Molmil
Crystal structure of a cyclase from Fischerella sp. TAU
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, aromatic prenyltransferase, ...
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-07-12
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018

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