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4XKL
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BU of 4xkl by Molmil
Crystal structure of NDP52 ZF2 in complex with mono-ubiquitin
Descriptor: ACETATE ION, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ...
Authors:Xie, X, Li, F, Wang, Y, Lin, Z, Chen, X, Liu, J, Pan, L.
Deposit date:2015-01-12
Release date:2015-11-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
8HDO
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BU of 8hdo by Molmil
Structure of A2BR bound to synthetic agonists BAY 60-6583
Descriptor: 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide, Adenosine A2b receptor, CHOLESTEROL, ...
Authors:Cai, H, Xu, Y, Xu, H.E, Jiang, Y.
Deposit date:2022-11-05
Release date:2023-01-18
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
8HDP
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BU of 8hdp by Molmil
Structure of A2BR bound to endogenous agonists adenosine
Descriptor: ADENOSINE, Adenosine A2b receptor, CHOLESTEROL, ...
Authors:Cai, H, Xu, Y, Xu, H.E, Jiang, Y.
Deposit date:2022-11-05
Release date:2023-01-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
8HK5
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BU of 8hk5 by Molmil
C5aR1-Gi-C5a protein complex
Descriptor: C5a anaphylatoxin chemotactic receptor 1, Complement C5, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
Deposit date:2022-11-24
Release date:2023-05-10
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK3
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BU of 8hk3 by Molmil
C3aR-Gi-apo protein complex
Descriptor: C3a anaphylatoxin chemotactic 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:Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
Deposit date:2022-11-24
Release date:2023-05-10
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK2
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BU of 8hk2 by Molmil
C3aR-Gi-C3a protein complex
Descriptor: C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, CHOLESTEROL, ...
Authors:Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
Deposit date:2022-11-24
Release date:2023-05-10
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8D95
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BU of 8d95 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: Complement factor D, N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-09
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DEA
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BU of 8dea by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, Complement factor D, GLYCEROL
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-20
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DG6
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BU of 8dg6 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide, Complement factor D
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-23
Release date:2022-11-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
7VKT
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BU of 7vkt by Molmil
cryo-EM structure of LTB4-bound BLT1 in complex with Gi protein
Descriptor: CHOLESTEROL HEMISUCCINATE, 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:He, Y, Wang, N.
Deposit date:2021-10-01
Release date:2022-03-09
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of leukotriene B4 receptor 1 activation.
Nat Commun, 13, 2022
8H8J
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BU of 8h8j by Molmil
Lodoxamide-bound GPR35 in complex with G13
Descriptor: 2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid), CALCIUM ION, CHOLESTEROL, ...
Authors:Yuan, Q, Duan, J, Liu, Q, Xu, H.E, Jiang, Y.
Deposit date:2022-10-23
Release date:2023-02-08
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Insights into divalent cation regulation and G 13 -coupling of orphan receptor GPR35.
Cell Discov, 8, 2022
8HBD
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BU of 8hbd by Molmil
Cryo-EM structure of IRL1620-bound ETBR-Gi complex
Descriptor: Endothelin receptor type B,Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, 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:Yuan, Q, Ji, Y, Jiang, Y, Duan, J, Xu, H.E.
Deposit date:2022-10-28
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
8HCX
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BU of 8hcx by Molmil
Cryo-EM structure of Endothelin1-bound ETBR-Gq complex
Descriptor: Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
8HCQ
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BU of 8hcq by Molmil
Cryo-EM structure of endothelin1-bound ETAR-Gq complex
Descriptor: Endothelin-1, Endothelin-1 receptor,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J.
Deposit date:2022-11-02
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
6U37
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BU of 6u37 by Molmil
Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS194B
Descriptor: (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ...
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2019-08-21
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
6U3P
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BU of 6u3p by Molmil
Binary complex of native hAChE with oxime reactivator LG-703
Descriptor: (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide], Acetylcholinesterase, DIMETHYL SULFOXIDE
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2019-08-22
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
6U34
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BU of 6u34 by Molmil
Binary complex of native hAChE with oxime reactivator RS194B
Descriptor: (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ...
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2019-08-21
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
4OC8
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BU of 4oc8 by Molmil
DNA modification-dependent restriction endonuclease AspBHI
Descriptor: PHOSPHATE ION, restriction endonuclease AspBHI
Authors:Horton, J.R.
Deposit date:2014-01-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.884 Å)
Cite:Structure and mutagenesis of the DNA modification-dependent restriction endonuclease AspBHI.
Sci Rep, 4, 2014
4JYU
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BU of 4jyu by Molmil
Structure of factor VIIA in complex with the inhibitor (2R)-2-[(1-AMINOISOQUINOLIN-6-YL)AMINO]-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-N-(PHENYLSULFONYL)ETHANAMIDE
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide, CALCIUM ION, Factor VII heavy chain, ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-04-01
Release date:2013-07-24
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4JYV
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BU of 4jyv by Molmil
Structure of factor VIIA in complex with the inhibitor (2R)-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-2-(ISOQUINOLIN-6-YLAMINO)-N-[(3-SULFAMOYLPHENYL)SULFONYL]ETHANAMIDE
Descriptor: (2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide, CALCIUM ION, Factor VII heavy chain, ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-04-01
Release date:2013-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
5VGU
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BU of 5vgu by Molmil
Structure of Halothece sp. PCC 7418 CcmK4
Descriptor: Microcompartments protein
Authors:Sutter, M, Sommer, M, Kerfeld, C.A.
Deposit date:2017-04-11
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.80719328 Å)
Cite:Heterohexamers Formed by CcmK3 and CcmK4 Increase the Complexity of Beta Carboxysome Shells.
Plant Physiol., 179, 2019
1CKJ
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BU of 1ckj by Molmil
CASEIN KINASE I DELTA TRUNCATION MUTANT CONTAINING RESIDUES 1-317 COMPLEX WITH BOUND TUNGSTATE
Descriptor: RECOMBINANT CASEIN KINASE I DELTA, TUNGSTATE(VI)ION
Authors:Longenecker, K.L, Roach, P.J, Hurley, T.D.
Deposit date:1995-08-25
Release date:1995-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Three-dimensional structure of mammalian casein kinase I: molecular basis for phosphate recognition.
J.Mol.Biol., 257, 1996
1CKI
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BU of 1cki by Molmil
RECOMBINANT CASEIN KINASE I DELTA TRUNCATION MUTANT CONTAINING RESIDUES 1-317
Descriptor: CASEIN KINASE I DELTA
Authors:Longenecker, K.L, Roach, P.J, Hurley, T.D.
Deposit date:1995-08-25
Release date:1995-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Three-dimensional structure of mammalian casein kinase I: molecular basis for phosphate recognition.
J.Mol.Biol., 257, 1996
4NGA
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BU of 4nga by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-11-01
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4NG9
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BU of 4ng9 by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-11-01
Release date:2014-01-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014

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