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7LML
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BU of 7lml by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-(((3-(4-Carboxyphenoxy)benzyl)oxy)methyl)phenyl)-1H-indole-2-carboxylic acid
Descriptor: 6-iodanyl-1~{H}-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
Authors:Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
Deposit date:2021-02-05
Release date:2021-12-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
7LKY
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BU of 7lky by Molmil
Crystal Structure of PHF1 Tudor domain in complex with a peptidomimetic ligand UNC6641
Descriptor: DIMETHYL SULFOXIDE, Isoform 1 of PHD finger protein 1, Peptidomimetic inhibitor UNC6641, ...
Authors:Liu, J, Kutateladze, T.G.
Deposit date:2021-02-03
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of an H3K36me3-Derived Peptidomimetic Ligand with Enhanced Affinity for Plant Homeodomain Finger Protein 1 (PHF1).
J.Med.Chem., 64, 2021
8YL6
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BU of 8yl6 by Molmil
EDS1-SAG101-NRG1A L134E heterotrimer
Descriptor: Probable disease resistance protein At5g66900, Protein EDS1, Senescence-associated carboxylesterase 101, ...
Authors:Wu, X.X, Xiao, Y.Y, Wang, Z.Z, Zhang, Y, Wan, L.
Deposit date:2024-03-05
Release date:2025-01-29
Last modified:2025-03-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Activation and inhibition mechanisms of a plant helper NLR.
Nature, 639, 2025
3AIS
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BU of 3ais by Molmil
Crystal structure of a mutant beta-glucosidase in wheat complexed with DIMBOA-Glc
Descriptor: (2S)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one, Beta-glucosidase, beta-D-glucopyranose
Authors:Sue, M, Nakamura, C, Miyamoto, T, Yajima, S.
Deposit date:2010-05-18
Release date:2011-03-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Active-site architecture of benzoxazinone-glucoside beta-D-glucosidases in Triticeae
Plant Sci., 180, 2011
7L4B
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BU of 7l4b by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni with pyruvate bound in the active site in P1211 space group
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-12-18
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:B-FACTOR ANALYSIS SUGGEST THAT L-LYSINE AND R, R-BISLYSINE ALLOSTERICALLY INHIBIT Cj.DHDPS ENZYME BY DECREASING PROTEIN DYNAMICS.
To Be Published
5IF6
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BU of 5if6 by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9_1c, SODIUM ION
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
3A7H
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BU of 3a7h by Molmil
Human MST3 kinase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Serine/threonine kinase 24 (STE20 homolog, yeast)
Authors:Ko, T.P, Jeng, W.Y, Liu, C.I, Lai, M.D, Wang, A.H.J.
Deposit date:2009-09-26
Release date:2010-02-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structures of human MST3 kinase in complex with adenine, ADP and Mn2+.
Acta Crystallogr.,Sect.D, 66, 2010
5WWP
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BU of 5wwp by Molmil
Crystal structure of Middle East respiratory syndrome coronavirus helicase (MERS-CoV nsp13)
Descriptor: ORF1ab, SULFATE ION, ZINC ION
Authors:Hao, W, Wojdyla, J.A, Zhao, R, Han, R, Das, R, Zlatev, I, Manoharan, M, Wang, M, Cui, S.
Deposit date:2017-01-03
Release date:2017-07-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of Middle East respiratory syndrome coronavirus helicase
PLoS Pathog., 13, 2017
3A7X
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BU of 3a7x by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 45seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A86
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BU of 3a86 by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 30 seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3KBH
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BU of 3kbh by Molmil
Crystal structure of NL63 respiratory coronavirus receptor-binding domain complexed with its human receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Wu, K, Li, W, Peng, G, Li, F.
Deposit date:2009-10-20
Release date:2009-12-15
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Crystal structure of NL63 respiratory coronavirus receptor-binding domain complexed with its human receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
5IGY
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BU of 5igy by Molmil
Macrolide 2'-phosphotransferase type II - complex with GDP and erythromycin
Descriptor: CALCIUM ION, ERYTHROMYCIN A, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IOP
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BU of 5iop by Molmil
Cetuximab Fab in complex with 4-bromophenylalanine meditope variant
Descriptor: Cetuximab Fab, heavy chain, light chain, ...
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2016-03-08
Release date:2016-10-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5WXO
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BU of 5wxo by Molmil
Crystal structure of uPA in complex with upain-2-2-W3A
Descriptor: Urokinase-type plasminogen activator chain B, upain-2-2-W3A peptide
Authors:Jiang, L, Huang, M.
Deposit date:2017-01-08
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Cleavage of peptidic inhibitors by target protease is caused by peptide conformational transition.
Biochim. Biophys. Acta, 1862, 2018
5WXS
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BU of 5wxs by Molmil
Crystal structure of uPA in complex with S2444
Descriptor: (2R)-N-[2-[[(2S)-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide, Urokinase-type plasminogen activator chain B
Authors:Jiang, L, Huang, M.
Deposit date:2017-01-08
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of uPA in complex with S2444
To Be Published
5IHL
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BU of 5ihl by Molmil
STRUCTURE OF THE EXTRACELLULAR DOMAIN OF THE CD40 IN COMPLEX WITH 3H56-5 DAB
Descriptor: 3H56-5 domain antibody (dAb), SULFATE ION, Tumor necrosis factor receptor superfamily member 5
Authors:Sheriff, S.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope.
J.Mol.Biol., 428, 2016
4XPU
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BU of 4xpu by Molmil
The crystal structure of EndoV from E.coli
Descriptor: Endonuclease V
Authors:Xie, W, Zhang, Z.
Deposit date:2015-01-18
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of E. coli endonuclease V, an essential enzyme for deamination repair
Sci Rep, 5, 2015
5IPF
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BU of 5ipf by Molmil
Crystal structure of Hypoxanthine-guanine phosphoribosyltransferase from Schistosoma mansoni in complex with IMP
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), INOSINIC ACID
Authors:Romanello, L, Torini, J.R.S, Bird, L.E, Nettleship, J.E, Owens, R.J, DeMarco, R, Pereira, H.M, Brandao-Neto, J.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In vitro and in vivo characterization of the multiple isoforms of Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferases.
Mol. Biochem. Parasitol., 229, 2019
7LUH
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BU of 7luh by Molmil
Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment bromophenoxy propanamide
Descriptor: (2~{R})-2-(4-bromanylphenoxy)propanamide, Thiol:disulfide interchange protein
Authors:Petit, G.A, Martin, J.L, McMahon, R.M.
Deposit date:2021-02-22
Release date:2022-01-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA.
Acta Crystallogr D Struct Biol, 78, 2022
5X04
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BU of 5x04 by Molmil
12:0-ACP thioesterase from Umbellularia californica
Descriptor: Dodecanoyl-[acyl-carrier-protein] hydrolase, chloroplastic
Authors:Xue, S, Feng, Y.
Deposit date:2017-01-19
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural Insight into Acyl-ACP Thioesterase toward Substrate Specificity Design.
ACS Chem. Biol., 12, 2017
7LUJ
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BU of 7luj by Molmil
Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment 4-methoxy-N-phenylbenzenesulfonamide
Descriptor: 4-methoxy-~{N}-phenyl-benzenesulfonamide, SULFATE ION, Thiol:disulfide interchange protein
Authors:Petit, G.A, Martin, J.L, McMahon, R.M.
Deposit date:2021-02-22
Release date:2022-01-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA.
Acta Crystallogr D Struct Biol, 78, 2022
5IRF
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BU of 5irf by Molmil
Reverse transcriptase domain of group II intron maturase from Roseburia intestinalis in P1 space group
Descriptor: POTASSIUM ION, Retron-type reverse transcriptase
Authors:Zhao, C, Pyle, A.M.
Deposit date:2016-03-13
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of a group II intron maturase reveal a missing link in spliceosome evolution.
Nat.Struct.Mol.Biol., 23, 2016
8Y01
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BU of 8y01 by Molmil
Cryo-EM structure of Medium-wave-sensitive opsin 1
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Peng, Q, Jiang, H.H, Cheng, X.Y, Li, J, Zhang, J.
Deposit date:2024-01-21
Release date:2025-02-12
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Cryo-EM structure of Medium-wave-sensitive opsin 1
To Be Published
307D
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BU of 307d by Molmil
Structure of a DNA analog of the primer for HIV-1 RT second strand synthesis
Descriptor: DNA (5'-D(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3')
Authors:Han, G.W, Kopka, M.L, Cascio, D, Grzeskowiak, K, Dickerson, R.E.
Deposit date:1997-01-07
Release date:1997-01-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of a DNA analog of the primer for HIV-1 RT second strand synthesis.
J.Mol.Biol., 269, 1997
4XAQ
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BU of 4xaq by Molmil
mGluR2 ECD and mGluR3 ECD with ligands
Descriptor: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 2, ...
Authors:Clawson, D.K.
Deposit date:2014-12-15
Release date:2015-02-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015

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数据于2025-04-23公开中

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