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8I7X
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BU of 8i7x by Molmil
Crystal structure of human ClpP in complex with ZG36
Descriptor: (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Wang, P.Y, Gan, J.H, Yang, C.-G.
Deposit date:2023-02-02
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists.
Eur.J.Med.Chem., 258, 2023
1ILV
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BU of 1ilv by Molmil
Crystal Structure Analysis of the TM107
Descriptor: STATIONARY-PHASE SURVIVAL PROTEIN SURE HOMOLOG
Authors:Zhang, R, Joachimiak, A, Edwards, A, Savchenko, A, Beasley, S, Evdokimova, E, Midwest Center for Structural Genomics (MCSG)
Deposit date:2001-05-08
Release date:2001-10-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Thermotoga maritima stationary phase survival protein SurE: a novel acid phosphatase.
Structure, 9, 2001
7CBJ
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BU of 7cbj by Molmil
Crystal structure of PDE4D catalytic domain in complex with compound 36
Descriptor: (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Xu, Y.C.
Deposit date:2020-06-12
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
7CBQ
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BU of 7cbq by Molmil
Crystal structure of PDE4D catalytic domain in complex with Apremilast
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, ...
Authors:Zhang, X.L, Xu, Y.C.
Deposit date:2020-06-13
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
7EAU
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BU of 7eau by Molmil
SIB1, an effector of Colletotrichum orbiculare
Descriptor: SIN1
Authors:Mori, M, Ohki, S, Kurita, J.
Deposit date:2021-03-08
Release date:2021-11-03
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Fungal effector SIB1 of Colletotrichum orbiculare has unique structural features and can suppress plant immunity in Nicotiana benthamiana.
J.Biol.Chem., 297, 2021
1L3L
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BU of 1l3l by Molmil
Crystal structure of a bacterial quorum-sensing transcription factor complexed with pheromone and DNA
Descriptor: 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, 5'-D(*GP*AP*TP*GP*TP*GP*CP*AP*GP*AP*TP*CP*TP*GP*CP*AP*CP*AP*TP*C)-3', Transcriptional activator protein traR
Authors:Zhang, R, Pappas, T, Brace, J.L, Miller, P.C, Oulmassov, T, Molyneaux, J.M, Anderson, J.C, Bashkin, J.K, Winans, S.C, Joachimiak, A.
Deposit date:2002-02-27
Release date:2002-07-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure of a bacterial quorum-sensing transcription factor complexed with pheromone and DNA.
Nature, 417, 2002
3SWJ
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BU of 3swj by Molmil
Crystal structure of Campylobacter jejuni ChuZ
Descriptor: AZIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein
Authors:Hu, Y.
Deposit date:2011-07-14
Release date:2011-11-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:Crystal structure of Campylobacter jejuni ChuZ: a split-barrel family heme oxygenase with a novel heme-binding mode.
Biochem.Biophys.Res.Commun., 415, 2011
1P99
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BU of 1p99 by Molmil
1.7A crystal structure of protein PG110 from Staphylococcus aureus
Descriptor: GLYCINE, Hypothetical protein PG110, METHIONINE
Authors:Zhang, R, Zhou, M, Joachimiak, G, Schneewind, O, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2003-05-09
Release date:2004-01-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The membrane-associated lipoprotein-9 GmpC from Staphylococcus aureus binds the dipeptide GlyMet via side chain interactions.
Biochemistry, 43, 2004
1YWQ
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BU of 1ywq by Molmil
Crystal structure of a nitroreductase family protein from Bacillus cereus ATCC 14579
Descriptor: FLAVIN MONONUCLEOTIDE, Nitroreductase family protein
Authors:Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-02-18
Release date:2005-04-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a nitroreductase family protein from Bacillus cereus ATCC 14579
To be Published
3NRV
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BU of 3nrv by Molmil
Crystal structure of MarR/EmrR family transcriptional regulator from Acinetobacter sp. ADP1
Descriptor: GLYCEROL, Putative transcriptional regulator (MarR/EmrR family), SODIUM ION, ...
Authors:Zhang, R, Wu, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-06-30
Release date:2010-09-15
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal structure of MarR/EmrR family transcriptional regulator from Acinetobacter sp. ADP1
To be Published
7VEG
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BU of 7veg by Molmil
Understanding NH-pi interaction between Gln and Phe
Descriptor: peptide, ACETYLAMINO-ACETIC ACID
Authors:Fan, S, Xu, F.
Deposit date:2021-09-08
Release date:2022-10-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural Achievability of an NH-pi Interaction between Gln and Phe in a Crystal Structure of a Collagen-like Peptide.
Biomolecules, 12, 2022
1TMH
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BU of 1tmh by Molmil
MODULAR MUTAGENESIS OF A TIM-BARREL ENZYME: THE CRYSTAL STRUCTURE OF A CHIMERIC E. COLI TIM HAVING THE EIGHTH (BETA-ALPHA)-UNIT REPLACED BY THE EQUIVALENT UNIT OF CHICKEN TIM
Descriptor: SULFATE ION, TRIOSEPHOSPHATE ISOMERASE
Authors:Radha Kishan, K.V, Zeelen, J.Ph, Wierenga, R.K.
Deposit date:1994-03-22
Release date:1994-06-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Modular mutagenesis of a TIM-barrel enzyme: the crystal structure of a chimeric E. coli TIM having the eighth beta alpha-unit replaced by the equivalent unit of chicken TIM.
Protein Eng., 7, 1994
8HRD
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BU of 8hrd by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant in complex with IMCAS74 Fab and W14 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS74 Fab heavy chain, IMCAS74 Fab light chain, ...
Authors:Zhao, R.C, Wu, L.L, Han, P.
Deposit date:2022-12-15
Release date:2023-12-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
6LML
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BU of 6lml by Molmil
Cryo-EM structure of the human glucagon receptor in complex with Gi1
Descriptor: Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Qiao, A, Han, S, Li, X, Sun, F, Zhao, Q, Wu, B.
Deposit date:2019-12-26
Release date:2020-04-01
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of Gsand Girecognition by the human glucagon receptor.
Science, 367, 2020
4UVH
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BU of 4uvh by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 10
Descriptor: ACETATE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, ...
Authors:Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
Deposit date:2014-08-05
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
7FIN
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BU of 7fin by Molmil
Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GIPR-Gs complex
Descriptor: CHOLESTEROL, GAMMA-L-GLUTAMIC ACID, Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, ...
Authors:Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
Deposit date:2021-07-31
Release date:2022-02-23
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7FIY
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BU of 7fiy by Molmil
Cryo-EM structure of the tirzepatide-bound human GIPR-Gs complex
Descriptor: CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
Deposit date:2021-08-01
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
7FIM
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BU of 7fim by Molmil
Cryo-EM structure of the tirzepatide (LY3298176)-bound human GLP-1R-Gs complex
Descriptor: Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,human glucagon like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
Deposit date:2021-07-31
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
8HIP
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BU of 8hip by Molmil
dsRNA transporter
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Systemic RNA interference defective protein 1, ZINC ION, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-21
Release date:2023-11-29
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 31, 2024
8HKE
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BU of 8hke by Molmil
dsRNA transporter
Descriptor: RNA (37-MER), Systemic RNA interference defective protein 1, ZINC ION
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-25
Release date:2023-11-29
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 31, 2024
4DGP
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BU of 4dgp by Molmil
The wild-type Src homology 2 (SH2)-domain containing protein tyrosine phosphatase-2 (SHP2)
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y.
Deposit date:2012-01-26
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
5JY3
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BU of 5jy3 by Molmil
CRYSTAL STRUCTURE OF LXRbeta (NUCLEAR RECEPTOR SUBFAMILY 1, GROUP H, MEMBER 2) COMPLEXED WITH BMS-852927
Descriptor: 1,4-BUTANEDIOL, 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol, Oxysterols receptor LXR-beta
Authors:Muckelbauer, J.K.
Deposit date:2016-05-13
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Highly Potent Liver X Receptor beta Agonists.
ACS Med Chem Lett, 7, 2016
3KA0
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BU of 3ka0 by Molmil
MK2 complex with inhibitor 6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide
Descriptor: 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide, MAP kinase-activated protein kinase 2
Authors:Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
Deposit date:2009-10-16
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
6XMG
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BU of 6xmg by Molmil
Cryo-EM structure of Cas12g ternary complex
Descriptor: CRISPR-Cas, RNA (130-MER), RNA (5'-R(P*UP*UP*AP*AP*UP*GP*CP*GP*GP*UP*AP*GP*UP*UP*UP*AP*UP*CP*AP*CP*AP*GP*UP*U)-3'), ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2020-06-30
Release date:2021-01-13
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cryo-EM structure of the RNA-guided ribonuclease Cas12g.
Nat.Chem.Biol., 17, 2021
6XMF
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BU of 6xmf by Molmil
Cryo-EM structure of Cas12g binary complex
Descriptor: CRISPR-Cas, RNA (116-MER), ZINC ION
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2020-06-30
Release date:2021-01-13
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the RNA-guided ribonuclease Cas12g.
Nat.Chem.Biol., 17, 2021

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