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6JKV
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BU of 6jkv by Molmil
PppA, a key regulatory component of T6SS in Pseudomonas aeruginosa
Descriptor: MANGANESE (II) ION, PppA
Authors:Wang, T, Liu, L, Wu, Y, Li, D.
Deposit date:2019-03-02
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PppA from Pseudomonas aeruginosa, a key regulatory component of type VI secretion systems.
Biochem.Biophys.Res.Commun., 516, 2019
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
8H7B
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BU of 8h7b by Molmil
The crystal structure of human mcl1 kinase domain in complex with MCL1-M-EBA
Descriptor: 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2022-10-19
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.46408451 Å)
Cite:2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
8H7F
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BU of 8h7f by Molmil
The crystal structure of human abl1 kinase domain in complex with abl1-B-EBA
Descriptor: 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea, Tyrosine-protein kinase ABL1
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2022-10-20
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.45013428 Å)
Cite:2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
8H7H
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BU of 8h7h by Molmil
The crystal structure of human abl1 kinase domain in complex with abl1-A-EBA
Descriptor: 5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2022-10-20
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27789712 Å)
Cite:2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
6LPI
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BU of 6lpi by Molmil
Crystal Structure of AHAS holo-enzyme
Descriptor: Acetolactate synthase isozyme 1 large subunit, Acetolactate synthase isozyme 1 small subunit, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Zhang, Y, Yang, X, Xi, Z, Shen, Y.
Deposit date:2020-01-10
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.849 Å)
Cite:Molecular architecture of the acetohydroxyacid synthase holoenzyme.
Biochem.J., 477, 2020
6M4C
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BU of 6m4c by Molmil
C. albicans actin interacting protein Aip5
Descriptor: C. albicans actin interacting protein Aip5
Authors:Loh, Z.Y, Gao, Y.G, Xie, Y, Miao, Y.
Deposit date:2020-03-06
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Orchestrated actin nucleation by the Candida albicans polarisome complex enables filamentous growth.
J.Biol.Chem., 295, 2020
7FAP
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BU of 7fap by Molmil
Structure of VAR2CSA-CSA 3D7
Descriptor: 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-3)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, Erythrocyte membrane protein 1, PfEMP1
Authors:Wang, L, Wang, Z.
Deposit date:2021-07-07
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The molecular mechanism of cytoadherence to placental or tumor cells through VAR2CSA from Plasmodium falciparum.
Cell Discov, 7, 2021
2CAY
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BU of 2cay by Molmil
Vps36 N-terminal PH domain
Descriptor: SULFATE ION, VACUOLAR PROTEIN SORTING PROTEIN 36
Authors:Teo, H, Williams, R.L, Perisic, O, Gill, D.J.
Deposit date:2005-12-23
Release date:2006-04-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Escrt-I Core and Escrt-II Glue Domain Structures Reveal Role for Glue in Linking to Escrt-I and Membranes.
Cell(Cambridge,Mass.), 125, 2006
7FAS
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BU of 7fas by Molmil
VAR2CSA 3D7 ectodomain core region
Descriptor: Erythrocyte membrane protein 1, PfEMP1
Authors:Wang, L, Zhaoning, W.
Deposit date:2021-07-07
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The molecular mechanism of cytoadherence to placental or tumor cells through VAR2CSA from Plasmodium falciparum.
Cell Discov, 7, 2021
7WWF
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BU of 7wwf by Molmil
Crystal structure of BioH3 from Mycolicibacterium smegmatis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Esterase
Authors:Yang, J, Xu, Y.C, Gan, J.H, Feng, Y.J.
Deposit date:2022-02-12
Release date:2022-07-06
Last modified:2023-01-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Three enigmatic BioH isoenzymes are programmed in the early stage of mycobacterial biotin synthesis, an attractive anti-TB drug target.
Plos Pathog., 18, 2022
1L2J
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BU of 1l2j by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
Descriptor: (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL, ESTROGEN RECEPTOR BETA
Authors:Shiau, A.K, Barstad, D, Radek, J.T, Meyers, M.J, Nettles, K.W, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Agard, D.A, Greene, G.L.
Deposit date:2002-02-21
Release date:2002-05-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural characterization of a subtype-selective ligand reveals a novel mode of estrogen receptor antagonism.
Nat.Struct.Biol., 9, 2002
7FBJ
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BU of 7fbj by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, ...
Authors:Zhu, J, Xu, T, Feng, B, Liu, J.
Deposit date:2021-07-11
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
7FBK
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BU of 7fbk by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, Spike protein S1
Authors:Zhu, J, Xu, T, Feng, B, Liu, J.
Deposit date:2021-07-11
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
8INB
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BU of 8inb by Molmil
Cryo-EM structure of Cas12j-SF05-crRNA-dsDNA complex
Descriptor: Cas12j-SF05, NTS-DNA, TS-DNA, ...
Authors:Zhang, X, Duan, Z.Q, Zhu, J.K.
Deposit date:2023-03-09
Release date:2024-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis for DNA cleavage by the hypercompact Cas12j-SF05.
Cell Discov, 9, 2023
8JF4
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BU of 8jf4 by Molmil
The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9
Descriptor: 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A
Authors:Zhu, C.J.
Deposit date:2023-05-17
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.89288354 Å)
Cite:Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
8JF3
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BU of 8jf3 by Molmil
C-Src in complex with compound 9
Descriptor: 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Zhang, Z.M, Huang, H.S.
Deposit date:2023-05-17
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.84647632 Å)
Cite:Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
8JG8
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BU of 8jg8 by Molmil
The crystal structure of human aurka kinase domain in the complex with aurka-compound 25
Descriptor: 4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, Aurora kinase A
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2023-05-19
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.90002346 Å)
Cite:Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
7XTQ
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BU of 7xtq by Molmil
Cryo-EM structure of the R399-bound GPBAR-Gs complex
Descriptor: G-protein coupled bile acid receptor 1, 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:Ma, L, Yang, F, Wu, X, Mao, C, Sun, J, Yu, X, Zhang, Y, Zhang, P.
Deposit date:2022-05-17
Release date:2022-07-06
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis and molecular mechanism of biased GPBAR signaling in regulating NSCLC cell growth via YAP activity.
Proc.Natl.Acad.Sci.USA, 119, 2022
7CMZ
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BU of 7cmz by Molmil
Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8
Descriptor: DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ...
Authors:Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N.
Deposit date:2020-07-29
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability.
Sci Adv, 7, 2021
7CDI
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BU of 7cdi by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
7CDJ
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BU of 7cdj by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.396 Å)
Cite:Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
7X98
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BU of 7x98 by Molmil
5-Aminolevulinate synthase HemA from Rhodopseudomonas palustris
Descriptor: 5-aminolevulinate synthase
Authors:Zhang, T.T, Liu, H.P.
Deposit date:2022-03-15
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of 5-Aminolevulinate synthase HemA from Rhodopseudomonas palustris presents multiple conformations.
Biochem.Biophys.Res.Commun., 609, 2022
7YSU
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BU of 7ysu by Molmil
Cryo-EM Structure of FGF23-FGFR3c-aKlotho-HS Quaternary Complex
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, COPPER (II) ION, Fibroblast growth factor 23, ...
Authors:Mohammadi, M, Chen, L.
Deposit date:2022-08-13
Release date:2023-04-19
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for FGF hormone signalling.
Nature, 618, 2023

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