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3TH8
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BU of 3th8 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063
Descriptor: (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Zhu, W, Zhang, Y, Oldfield, E.
Deposit date:2011-08-18
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
7NNH
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BU of 7nnh by Molmil
Cryo-EM structure of VAR2CSA FCR3 domain DBL5/6
Descriptor: Erythrocyte membrane protein 1
Authors:Wang, K.T, Dagil, R, Salanti, A, Gourdon, P.E.
Deposit date:2021-02-24
Release date:2021-06-02
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
6SKD
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BU of 6skd by Molmil
Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK3397892A
Descriptor: 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide, GLYCEROL, Kallikrein-6, ...
Authors:Thorpe, J.H.
Deposit date:2019-08-15
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
Descriptor: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Brazell, T.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
6SKC
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BU of 6skc by Molmil
Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK3448330A
Descriptor: 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide, BENZAMIDINE, GLYCEROL, ...
Authors:Thorpe, J.H.
Deposit date:2019-08-15
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
4M5B
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BU of 4m5b by Molmil
Crystal Structure of an Truncated Transition Metal Transporter
Descriptor: Cobalamin biosynthesis protein CbiM, HEXANE-1,6-DIOL, NICKEL (II) ION
Authors:Yu, Y.
Deposit date:2013-08-08
Release date:2014-03-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters
Cell Res., 24, 2014
6RV6
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BU of 6rv6 by Molmil
Structure of properdin lacking TSR3 based on anomalous data
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Properdin, alpha-D-mannopyranose, ...
Authors:Pedersen, D.V, Andersen, G.R.
Deposit date:2019-05-31
Release date:2019-08-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.507 Å)
Cite:Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
6QHA
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BU of 6qha by Molmil
Crystal Structure of Human Kallikrein 6 in complex with GSK3205388B
Descriptor: GLYCEROL, Kallikrein-6, UNKNOWN ATOM OR ION, ...
Authors:Thorpe, J.H.
Deposit date:2019-01-16
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
6QFS
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BU of 6qfs by Molmil
Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ...
Authors:Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R.
Deposit date:2019-01-10
Release date:2019-12-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Charge Interactions in a Highly Charge-depleted Protein
J.Am.Chem.Soc., 2021
6QHB
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BU of 6qhb by Molmil
Crystal Structure of Human Kallikrein 6 in complex with GSK578724A
Descriptor: GLYCEROL, Kallikrein-6, ~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide
Authors:Thorpe, J.H.
Deposit date:2019-01-16
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
6QFH
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BU of 6qfh by Molmil
Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK144.
Descriptor: 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6
Authors:Thorpe, J.H.
Deposit date:2019-01-10
Release date:2019-05-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
6JEA
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BU of 6jea by Molmil
crystal structure of a beta-N-acetylhexosaminidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, ZINC ION
Authors:Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
Deposit date:2019-02-04
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.275 Å)
Cite:Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila.
Biochem. Biophys. Res. Commun., 511, 2019
6JE8
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BU of 6je8 by Molmil
crystal structure of a beta-N-acetylhexosaminidase
Descriptor: Beta-N-acetylhexosaminidase, FORMIC ACID, GLYCEROL, ...
Authors:Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
Deposit date:2019-02-04
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila.
Biochem. Biophys. Res. Commun., 511, 2019
2JQC
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BU of 2jqc by Molmil
A L-amino acid mutant of a D-amino acid containing conopeptide
Descriptor: L-mr12
Authors:Huang, F, Du, W, Han, Y, Wang, C, Chi, C.
Deposit date:2007-05-31
Release date:2008-04-15
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Purification and structural characterization of a d-amino acid-containing conopeptide, conomarphin, from Conus marmoreus
Febs J., 275, 2008
8H97
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BU of 8h97 by Molmil
GH86 agarase Aga86A_Wa
Descriptor: Beta-agarase, CALCIUM ION, HEXAETHYLENE GLYCOL
Authors:Zhang, Y.Y, Dong, S, Feng, Y.G, Chang, Y.G.
Deposit date:2022-10-25
Release date:2023-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Structural characterization on a beta-agarase Aga86A_Wa from Wenyingzhuangia aestuarii reveals the prevalent methyl-galactose accommodation capacity of GH86 enzymes at subsite -1.
Carbohydr Polym, 306, 2023
8H3F
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BU of 8h3f by Molmil
Cryo-EM Structure of the KBTBD2-CRL3-CSN complex
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.73 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H3A
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BU of 8h3a by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8(removed)-CSN complex
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.51 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H3Q
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BU of 8h3q by Molmil
Cryo-EM Structure of the CAND1-Cul3-Rbx1 complex
Descriptor: Cullin-3, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-09
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H35
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BU of 8h35 by Molmil
Cryo-EM Structure of the KBTBD2-Cul3-Rbx1 octameric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.41 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H36
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BU of 8h36 by Molmil
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a dimeric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H33
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BU of 8h33 by Molmil
Cryo-EM Structure of the KBTBD2-Cul3-Rbx1 tetrameric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-07
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.86 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
5ITI
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BU of 5iti by Molmil
A cynobacterial PP2C (tPphA) structure
Descriptor: CALCIUM ION, Protein serin-threonin phosphatase
Authors:Su, J.Y.
Deposit date:2016-03-16
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition
Catalysts, 6, 2016
8H34
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BU of 8h34 by Molmil
Cryo-EM Structure of the KBTBD2-Cul3-Rbx1 hexameric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-07
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.99 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H3R
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BU of 8h3r by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8 dimeric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-09
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.36 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H38
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BU of 8h38 by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8-CSN(mutate) complex
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024

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