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6NEW
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BU of 6new by Molmil
Apo structure of the activated truncation of Vav1
Descriptor: Proto-oncogene vav, ZINC ION
Authors:Knapp, M.S, Elling, R.A, Ornelas, E.
Deposit date:2018-12-18
Release date:2019-12-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity
To Be Published
6NF1
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BU of 6nf1 by Molmil
Vav1 inhibited by an allosteric inhibitor: Vav1 inhibitors block GEF activity
Descriptor: (2S)-3-[(3S)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proto-oncogene vav, ...
Authors:Knapp, M.S, Elling, R.A, Ornelas, E.
Deposit date:2018-12-18
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity
To Be Published
5XMA
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BU of 5xma by Molmil
Crystal structure of AsfvPolX in complex with DNA enzyme at P43212 space group
Descriptor: DNA (36-MER), DNA/RNA (5'-D(*AP*CP*GP*AP*GP*AP*GP*AP*GP*AP*T)-R(P*G)-D(P*GP*GP*TP*GP*CP*GP*TP*TP*AP*CP*A)-3'), Repair DNA polymerase X
Authors:Liu, H.H, Gan, J.H.
Deposit date:2017-05-13
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
7P0I
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BU of 7p0i by Molmil
Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor Compound 13
Descriptor: (1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazapentacyclo[20.5.2.11,4.13,7.025,28]hentriaconta-3(30),4,6,20,22(29),23,25(28)-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ...
Authors:Southall, S.M.
Deposit date:2021-06-29
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.
Acs Chem Neurosci, 13, 2022
7P0F
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BU of 7p0f by Molmil
Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0028125
Descriptor: (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ...
Authors:Southall, S.M, Watson, S.P.
Deposit date:2021-06-29
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.
Acs Chem Neurosci, 13, 2022
7XQC
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BU of 7xqc by Molmil
Crystal structure of N-terminal domain of Rv2908c fused with Maltose Binding Protein (MBP)
Descriptor: DI(HYDROXYETHYL)ETHER, Fusion protein of Maltose-binding periplasmic protein and RNA-binding protein KhpA
Authors:Thakur, K.G, Singh, A, Kapoor, S, Deep, A.
Deposit date:2022-05-07
Release date:2023-05-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of N-terminal domain of Rv2908c fused with Maltose Binding Protein (MBP)
To Be Published
4IL0
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BU of 4il0 by Molmil
Crystal structure of GlucDRP from E. coli K-12 MG1655 (EFI target EFI-506058)
Descriptor: CITRIC ACID, GLYCEROL, Glucarate dehydratase-related protein
Authors:Lukk, T, Ghasempur, S, Imker, H.J, Gerlt, J.A, Nair, S.K, Enzyme Function Initiative (EFI)
Deposit date:2012-12-28
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Glucarate dehydratase and its related protein from Escherichia coli form a heterotetrameric complex.
to be published
5YEV
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BU of 5yev by Molmil
Murine DR3 death domain
Descriptor: SULFATE ION, TNFRSF25 death domain
Authors:Yin, X, Jin, T.
Deposit date:2017-09-19
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
7Y94
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BU of 7y94 by Molmil
Crystal structure of Escherichia coli Adenine Phosphoribosyltransferase (APRT) in complex with Adenine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENINE, ...
Authors:Yadav, P, Kushwaha, G.S, Bhavesh, N.S.
Deposit date:2022-06-24
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Escherichia coli Adenine Phosphoribosyltransferase (APRT) in complex with Adenine
To Be Published
5YGP
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BU of 5ygp by Molmil
Human TNFRSF25 death domain mutant-D412E
Descriptor: SULFATE ION, TNFRSF25 death domain, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Yin, X, Jin, T.C.
Deposit date:2017-09-25
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
4JBZ
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BU of 4jbz by Molmil
Structure of Mcm10 coiled-coil region
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN FUSED WITH XENOPUS LAEVIS MCM10 COILED-COIL REGION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Du, W, Adhikary, S, Eichman, B.F.
Deposit date:2013-02-20
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mcm10 self-association is mediated by an N-terminal coiled-coil domain.
Plos One, 8, 2013
7XI2
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BU of 7xi2 by Molmil
Crystal structure of Escherichia coli Adenine Phosphoribosyltransferase (APRT) in complex with phosphate
Descriptor: ACETATE ION, Adenine phosphoribosyltransferase, CHLORIDE ION, ...
Authors:Yadav, P, Kushwaha, G.S, Bhavesh, N.S.
Deposit date:2022-04-11
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Escherichia coli Adenine Phosphoribosyltransferase (APRT) in complex with phosphate
To Be Published
4H1G
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BU of 4h1g by Molmil
Structure of Candida albicans Kar3 motor domain fused to maltose-binding protein
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Allingham, J.A, Duan, D, Delorme, C, Joshi, M.
Deposit date:2012-09-10
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the Candida albicans Kar3 kinesin motor domain fused to maltose-binding protein.
Biochem.Biophys.Res.Commun., 428, 2012
5Y07
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BU of 5y07 by Molmil
Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis with PRPP.
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Adenine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Pavithra, G.C, Ramagopal, U.A.
Deposit date:2017-07-25
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis with PRPP
To be published
7WR3
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BU of 7wr3 by Molmil
Crystal structure of MBP-fused OspC3 in complex with calmodulin
Descriptor: Calmodulin-1, MBP-fused OspC3, NICOTINAMIDE, ...
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
5Y4A
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BU of 5y4a by Molmil
Cadmium directed assembly of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis.
Descriptor: Adenine phosphoribosyltransferase, CADMIUM ION, SODIUM ION, ...
Authors:Pavithra, G.C, Ramagopal, U.A.
Deposit date:2017-08-02
Release date:2018-08-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Cadmium directed assembly of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis.
To be published
7W3Z
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BU of 7w3z by Molmil
Cryo-EM Structure of Human Gastrin Releasing Peptide Receptor in complex with the agonist Gastrin Releasing Peptide and Gq heterotrimers
Descriptor: Gastrin Releasing Peptide PRGNHWAVGHLM(NH2), 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:Zhan, Y, Peng, S, Zhang, H.
Deposit date:2021-11-26
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy.
Proc.Natl.Acad.Sci.USA, 120, 2023
7W40
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BU of 7w40 by Molmil
Cryo-EM Structure of Human Gastrin Releasing Peptide Receptor in complex with the agonist Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] and Gq heterotrimers
Descriptor: Bombesin, 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:Zhan, Y, Peng, S, Zhang, H.
Deposit date:2021-11-26
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy.
Proc.Natl.Acad.Sci.USA, 120, 2023
5Y2G
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BU of 5y2g by Molmil
Structure of MBP tagged GBS CAMP
Descriptor: Maltose-binding periplasmic protein,Protein B, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Jin, T, Li, Y.
Deposit date:2017-07-25
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure determination of the CAMP factor of Streptococcus agalactiae with the aid of an MBP tag and insights into membrane-surface attachment.
Acta Crystallogr D Struct Biol, 75, 2019
7WB2
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BU of 7wb2 by Molmil
Oxidase ChaP-D49L/Y109F mutant
Descriptor: ChaP, FE (III) ION
Authors:Zong, Y, Zheng, W, Wang, Y, Zhu, J, Tan, R.
Deposit date:2021-12-15
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution.
Angew.Chem.Int.Ed.Engl., 61, 2022
4JKM
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BU of 4jkm by Molmil
Crystal Structure of Clostridium perfringens beta-glucuronidase
Descriptor: Beta-glucuronidase, Maltose-binding periplasmic protein
Authors:Wallace, B.D, Redinbo, M.R.
Deposit date:2013-03-09
Release date:2014-09-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.263 Å)
Cite:Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
7OMM
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BU of 7omm by Molmil
Cryo-EM structure of N. gonorhoeae LptDE in complex with ProMacrobodies (MBPs have not been built de novo)
Descriptor: LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ProMacrobody 21,Maltodextrin-binding protein, ...
Authors:Botte, M, Ni, D, Schenck, S, Zimmermann, I, Chami, M, Bocquet, N, Egloff, P, Bucher, D, Trabuco, M, Cheng, R.K.Y, Brunner, J.D, Seeger, M.A, Stahlberg, H, Hennig, M.
Deposit date:2021-05-24
Release date:2022-05-04
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation.
Nat Commun, 13, 2022
7OMT
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BU of 7omt by Molmil
Crystal structure of ProMacrobody 21 with bound maltose
Descriptor: HEXAETHYLENE GLYCOL, MAGNESIUM ION, ProMacrobody 21, ...
Authors:Botte, M, Ni, D, Schenck, S, Zimmermann, I, Chami, M, Bocquet, N, Egloff, P, Bucher, D, Trabuco, M, Cheng, R.K.Y, Brunner, J.D, Seeger, M.A, Stahlberg, H, Hennig, M.
Deposit date:2021-05-24
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation.
Nat Commun, 13, 2022
7Z7H
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BU of 7z7h by Molmil
Structure of P. luminescens TccC3-F-actin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, Actin, ...
Authors:Belyy, A, Raunser, S.
Deposit date:2022-03-15
Release date:2022-06-29
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mechanism of threonine ADP-ribosylation of F-actin by a Tc toxin.
Nat Commun, 13, 2022
6OB5
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BU of 6ob5 by Molmil
Computationally-designed, modular sense/response system (S3-2D)
Descriptor: Ankyrin Repeat Domain (AR), S3-2D variant, FARNESYL DIPHOSPHATE, ...
Authors:Thompson, M.C, Glasgow, A.A, Huang, Y.M, Fraser, J.S, Kortemme, T.
Deposit date:2019-03-19
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Computational design of a modular protein sense-response system.
Science, 366, 2019

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