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7LAL
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BU of 7lal by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-18 AKA 7-(3-(2,3-DIHYDRO-1H-INDEN-1-YLAMINO)-1-PHENYLPROPYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ...
Authors:Khan, J.A.
Deposit date:2021-01-06
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO).
Bioorg.Med.Chem.Lett., 42, 2021
6JUI
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BU of 6jui by Molmil
The atypical Myb-like protein Cdc5 contains two distinct nucleic acid-binding surfaces
Descriptor: Pre-mRNA-splicing factor CEF1
Authors:Wang, C, Li, G, Li, M, Yang, J, Liu, J.
Deposit date:2019-04-14
Release date:2020-02-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Two distinct nucleic acid binding surfaces of Cdc5 regulate development.
Biochem.J., 476, 2019
7M2F
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BU of 7m2f by Molmil
CDK2 with compound 14 inhibitor with carboxylate
Descriptor: Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid
Authors:Longenecker, K.L, Qiu, W, Korepanova, A, Tong, Y.
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5E2V
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BU of 5e2v by Molmil
Anti-TAU AT8 FAB with doubly phosphorylated TAU peptide
Descriptor: AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, GLYCEROL, ...
Authors:Malia, T, Teplyakov, A.
Deposit date:2015-10-01
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
4F3M
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BU of 4f3m by Molmil
Crystal structure of CRISPR-associated protein
Descriptor: 1,2-ETHANEDIOL, BH0337 protein, SULFATE ION
Authors:Ke, A, Nam, K.H.
Deposit date:2012-05-09
Release date:2012-08-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Cas5d Protein Processes Pre-crRNA and Assembles into a Cascade-like Interference Complex in Subtype I-C/Dvulg CRISPR-Cas System.
Structure, 20, 2012
7DLV
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BU of 7dlv by Molmil
shrimp dUTPase in complex with Stl
Descriptor: CALCIUM ION, Orf20, SULFATE ION, ...
Authors:Ma, Q, Wang, F.
Deposit date:2020-11-30
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Structural basis of staphylococcal Stl inhibition on a eukaryotic dUTPase.
Int.J.Biol.Macromol., 184, 2021
5YJZ
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BU of 5yjz by Molmil
The native crystal structure of Rv3197 from Mycobacterium tuberculosis
Descriptor: GLYCEROL, Probable conserved ATP-binding protein ABC transporter, SULFATE ION
Authors:Zhang, Q.Q, Rao, Z.H.
Deposit date:2017-10-11
Release date:2018-02-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
5E2W
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BU of 5e2w by Molmil
Anti-TAU AT8 FAB with triply phosphorylated TAU peptide
Descriptor: AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, TAU-PHOSPHOPEPTIDE
Authors:Malia, T, Teplyakov, A.
Deposit date:2015-10-01
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
5YK1
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BU of 5yk1 by Molmil
The complex structure of Rv3197-AMPPNP from Mycobacterium tuberculosis
Descriptor: GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable conserved ATP-binding protein ABC transporter, ...
Authors:Rao, Z.H, Zhang, Q.Q.
Deposit date:2017-10-11
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
7D3M
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BU of 7d3m by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY R50
Descriptor: O/TIBET/99 VP1, O/TIBET/99 VP2, O/TIBET/99 VP3, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-19
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3K
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BU of 7d3k by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY B77
Descriptor: B77 VH, B77 VL, O/TIBET/99 VP1, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-19
Release date:2021-04-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3R
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BU of 7d3r by Molmil
FOOT AND MOUTH DISEASE VIRUS A/WH/CHA/09-BOUND THE SINGLE CHAIN FRAGME ANTIBODY R50
Descriptor: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-20
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3L
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BU of 7d3l by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY F145
Descriptor: F145 VH, F145 VL, O/TIBET/99 VP1, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-19
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
5YK2
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BU of 5yk2 by Molmil
The complex structure of Rv3197-erythromycin from Mycobacterium tuberculosis
Descriptor: ERYTHROMYCIN A, Probable conserved ATP-binding protein ABC transporter
Authors:Rao, Z.H, Zhang, Q.Q.
Deposit date:2017-10-11
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.807 Å)
Cite:Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
5YK0
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BU of 5yk0 by Molmil
The complex structure of Rv3197-ADP from Mycobacterium tuberculosis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Probable conserved ATP-binding protein ABC transporter, ...
Authors:Rao, Z.H, Zhang, Q.Q.
Deposit date:2017-10-11
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
4JPE
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BU of 4jpe by Molmil
Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
Descriptor: (4R)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'H-spiro[imidazole-4,1'-naphthalen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION
Authors:Vigers, G.P.A, Smith, D.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
4JOO
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BU of 4joo by Molmil
Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
Descriptor: (4R)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one, Beta-secretase 1, NICKEL (II) ION
Authors:Vigers, G.P.A, Smith, D.
Deposit date:2013-03-18
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
4JG4
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BU of 4jg4 by Molmil
Ligand concentration regulates the pathways of coupled protein folding and binding
Descriptor: PYROPHOSPHATE, Ribonuclease P protein component
Authors:Tonthat, N.K.
Deposit date:2013-02-28
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.296 Å)
Cite:Ligand concentration regulates the pathways of coupled protein folding and binding.
J.Am.Chem.Soc., 136, 2014
5E2T
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BU of 5e2t by Molmil
Crystal structure of anti-TAU antibody AT8 FAB
Descriptor: AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, CALCIUM ION
Authors:Malia, T, Teplyakov, A.
Deposit date:2015-10-01
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
4MGV
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BU of 4mgv by Molmil
Crystal structure of FK506 binding domain of plasmodium VIVAX FKBP35 In complex with inhibitor D5
Descriptor: 70 kDa peptidylprolyl isomerase, putative, N'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide
Authors:Rajan, S, Harikishore, A, Yoon, H.S.
Deposit date:2013-08-29
Release date:2013-12-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Adamantyl derivative as a potent inhibitor of Plasmodium FK506 binding protein 35.
Acs Med.Chem.Lett., 4, 2013
2OKR
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BU of 2okr by Molmil
Crystal Structure of the P38a-MAPKAP kinase 2 Heterodimer
Descriptor: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
Authors:Ter Haar, E.
Deposit date:2007-01-17
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
2OH0
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BU of 2oh0 by Molmil
Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine Based Inhibitors
Descriptor: (2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE, Inhibitory peptide, cAMP-dependent protein kinase, ...
Authors:Stoll, V.S.
Deposit date:2007-01-09
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
5H43
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BU of 5h43 by Molmil
Structural and mechanistical studies of the nuclear import by Importin-alpha
Descriptor: Histone acetyltransferase KAT8, Importin subunit alpha-1
Authors:Wang, R, Li, Y.
Deposit date:2016-10-28
Release date:2017-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the nuclear import of the histone acetyltransferase males-absent-on-the-first by importin alpha 1
Traffic, 19, 2018
7XE4
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BU of 7xe4 by Molmil
structure of a membrane-bound glycosyltransferase
Descriptor: (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J.
Deposit date:2022-03-29
Release date:2023-03-29
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1.
Nature, 616, 2023
5HMO
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BU of 5hmo by Molmil
myosin X motor activity
Descriptor: Unconventional myosin-X
Authors:Ropars, V, Blanc, F, Samazan, F, Houdusse, A.
Deposit date:2016-01-16
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.493 Å)
Cite:The myosin X motor is optimized for movement on actin bundles.
Nat Commun, 7, 2016

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