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6JWF
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BU of 6jwf by Molmil
Holo form of Pyranose Dehydrogenase PQQ domain from Coprinopsis cinerea
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Takeda, K, Ishida, T, Yoshida, M, Samejima, M, Ohno, H, Igarashi, K, Nakamura, N.
Deposit date:2019-04-20
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of the Catalytic and CytochromebDomains in a Eukaryotic Pyrroloquinoline Quinone-Dependent Dehydrogenase.
Appl.Environ.Microbiol., 85, 2019
4Q6S
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BU of 4q6s by Molmil
CFTR Associated Ligand (CAL) PDZ bound to biotinylated peptide BT-L-iCAL36
Descriptor: BT-L-iCAL36 peptide, Golgi-associated PDZ and coiled-coil motif-containing protein
Authors:Amacher, J.F, Madden, D.R.
Deposit date:2014-04-23
Release date:2015-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Modulator Preferences are Critical Co-Determinants of PDZ Network Wiring
To be Published
8BFK
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BU of 8bfk by Molmil
Jumbo Phage phi-kp24 tail inner tube
Descriptor: Putative virion structural protein
Authors:Ouyang, R, Briegel, A.
Deposit date:2022-10-26
Release date:2022-12-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:High-resolution reconstruction of a Jumbo-bacteriophage infecting capsulated bacteria using hyperbranched tail fibers.
Nat Commun, 13, 2022
3IT2
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BU of 3it2 by Molmil
Crystal structure of ligand-free Francisella tularensis histidine acid phosphatase
Descriptor: ACETATE ION, Acid phosphatase
Authors:Singh, H, Felts, R.L, Reilly, T.J, Tanner, J.J.
Deposit date:2009-08-27
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.838 Å)
Cite:Crystal Structures of the histidine acid phosphatase from Francisella tularensis provide insight into substrate recognition.
J.Mol.Biol., 394, 2009
8BFL
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BU of 8bfl by Molmil
Jumbo Phage phi-kp24 empty capsid hexamers
Descriptor: Major head protein
Authors:Ouyang, R.
Deposit date:2022-10-26
Release date:2022-12-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:High-resolution reconstruction of a Jumbo-bacteriophage infecting capsulated bacteria using hyperbranched tail fibers.
Nat Commun, 13, 2022
3T29
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BU of 3t29 by Molmil
TMAO-grown trigonal trypsin (bovine)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Cahn, J, Venkat, M, Marshall, H, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
4DHO
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BU of 4dho by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
Descriptor: (2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C.
Deposit date:2012-01-30
Release date:2013-07-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
4DHU
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BU of 4dhu by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
Descriptor: (2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ...
Authors:Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C.
Deposit date:2012-01-30
Release date:2013-07-31
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
7Y2D
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BU of 7y2d by Molmil
HSA-Cu agent complex
Descriptor: 13-methoxy-~{N},~{N}-dimethyl-2-oxa-4-thia-6,7$l^{4}-diaza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(9),5,7,10,12-pentaen-5-amine, PALMITIC ACID, Serum albumin
Authors:Zhang, Z.L, Yang, F.
Deposit date:2022-06-09
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of HSA-Cu agent complex
To Be Published
7CEE
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BU of 7cee by Molmil
Crystal structure of mouse neuroligin-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroligin-3
Authors:Yamagata, A, Yoshida, T, Shiroshima, T, Maeda, A, Fukai, S.
Deposit date:2020-06-23
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.763 Å)
Cite:Canonical versus non-canonical transsynaptic signaling of neuroligin 3 tunes development of sociality in mice.
Nat Commun, 12, 2021
8BFP
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BU of 8bfp by Molmil
Jumbo Phage phi-kp24 empty capsid pentamer hexamers
Descriptor: Major head protein
Authors:Ouyang, R.
Deposit date:2022-10-26
Release date:2022-12-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:High-resolution reconstruction of a Jumbo-bacteriophage infecting capsulated bacteria using hyperbranched tail fibers.
Nat Commun, 13, 2022
1YNK
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BU of 1ynk by Molmil
Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeteners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647
Descriptor: 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL, Ig gamma heavy chain, immunoglobulin kappa light chain
Authors:Gokulan, K, Khare, S, Ronning, D.R, Linthicum, S.D, Sacchettini, J.C, Rupp, B.
Deposit date:2005-01-24
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cocrystal Structures of NC6.8 Fab Identify Key Interactions for High Potency Sweetener Recognition: Implications for the Design of Synthetic Sweeteners
Biochemistry, 44, 2005
7CEG
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BU of 7ceg by Molmil
Crystal structure of the complex between mouse PTP delta and neuroligin-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform C of Receptor-type tyrosine-protein phosphatase delta, Neuroligin-3
Authors:Yamagata, A, Yoshida, T, Shiroshima, T, Maeda, A, Fukai, S.
Deposit date:2020-06-23
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.85 Å)
Cite:Canonical versus non-canonical transsynaptic signaling of neuroligin 3 tunes development of sociality in mice.
Nat Commun, 12, 2021
3IE3
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BU of 3ie3 by Molmil
Structural basis for the binding of the anti-cancer compound 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) to human glutathione S-transferases
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol, GLUTATHIONE, ...
Authors:Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M.
Deposit date:2009-07-22
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases
Cancer Res., 69, 2009
2NBV
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BU of 2nbv by Molmil
Solution structure of the Rpn13 Pru domain engaging the hPLIC2 UBL domain
Descriptor: Proteasomal ubiquitin receptor ADRM1, Ubiquilin-2
Authors:Chen, X, Walters, K.J.
Deposit date:2016-03-12
Release date:2016-07-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of Rpn1 T1:Rad23 and hRpn13:hPLIC2 Reveal Distinct Binding Mechanisms between Substrate Receptors and Shuttle Factors of the Proteasome.
Structure, 24, 2016
3IEG
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BU of 3ieg by Molmil
Crystal Structure of P58(IPK) TPR Domain at 2.5 A
Descriptor: DnaJ homolog subfamily C member 3
Authors:Tao, J, Sha, B.
Deposit date:2009-07-22
Release date:2010-03-31
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal Structure of P58(IPK) TPR Fragment Reveals the Mechanism for its Molecular Chaperone Activity in UPR.
J.Mol.Biol., 64, 2010
8BFI
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BU of 8bfi by Molmil
human CNOT1-CNOT10-CNOT11 module
Descriptor: CCR4-NOT transcription complex subunit 1, CCR4-NOT transcription complex subunit 10, CCR4-NOT transcription complex subunit 11
Authors:Basquin, J, Ozgur, S, Conti, E.
Deposit date:2022-10-26
Release date:2022-12-28
Last modified:2023-02-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:The human CNOT1-CNOT10-CNOT11 complex forms a structural platform for protein-protein interactions.
Cell Rep, 42, 2023
6U4R
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BU of 6u4r by Molmil
Crystal structure of Equine Serum Albumin complex with ketoprofen
Descriptor: (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, SULFATE ION, Serum albumin, ...
Authors:Czub, M.P, Handing, K.B, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-26
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
2EAX
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BU of 2eax by Molmil
Crystal structure of human PGRP-IBETAC in complex with glycosamyl muramyl pentapeptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, GLYCOSAMYL MURAMYL PENTAPEPTIDE, Peptidoglycan recognition protein-I-beta
Authors:Cho, S.
Deposit date:2007-02-03
Release date:2007-10-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the bactericidal mechanism of human peptidoglycan recognition proteins
Proc.Natl.Acad.Sci.Usa, 104, 2007
8BFH
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BU of 8bfh by Molmil
CNOT11
Descriptor: CCR4-NOT transcription complex subunit 11
Authors:Basquin, J, Ozgur, S, Conti, E.
Deposit date:2022-10-26
Release date:2022-12-28
Last modified:2023-02-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The human CNOT1-CNOT10-CNOT11 complex forms a structural platform for protein-protein interactions.
Cell Rep, 42, 2023
4DVY
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BU of 4dvy by Molmil
Crystal structure of the Helicobacter pylori CagA oncoprotein
Descriptor: Cytotoxicity-associated immunodominant antigen
Authors:Hayashi, T, Senda, M, Morohashi, H, Higashi, H, Horio, M, Kashiba, Y, Nagase, L, Sasaya, D, Shimizu, T, Venugopalan, N, Kumeta, H, Noda, N, Inagaki, F, Senda, T, Hatakeyama, M.
Deposit date:2012-02-23
Release date:2012-07-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Tertiary Structure-Function Analysis Reveals the Pathogenic Signaling Potentiation Mechanism of Helicobacter pylori Oncogenic Effector CagA
Cell Host Microbe, 12, 2012
6ZAY
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BU of 6zay by Molmil
Crystal structure of Atg16L in complex with GDP-bound Rab33B
Descriptor: 1,2-ETHANEDIOL, Autophagy-related protein 16-1, DI(HYDROXYETHYL)ETHER, ...
Authors:Pantoom, S, Wu, Y.W.
Deposit date:2020-06-06
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:RAB33B recruits the ATG16L1 complex to the phagophore via a noncanonical RAB binding protein.
Autophagy, 17, 2021
6ZCJ
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BU of 6zcj by Molmil
14-3-3sigma in complex with SLP76pS376 phosphopeptide crystal structure
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, SLP76pS376
Authors:Soini, L, Leysen, S, Davis, J, Ottmann, C.
Deposit date:2020-06-11
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The 14-3-3/SLP76 protein-protein interaction in T-cell receptor signalling: a structural and biophysical characterization.
Febs Lett., 595, 2021
3T2H
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BU of 3t2h by Molmil
Tetragonal thermolysin in the presence of TMAO
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Cahn, J, Hti Lar Seng, N.S, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
8BFJ
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BU of 8bfj by Molmil
CNOT11-GGNBP2 complex
Descriptor: 1,2-ETHANEDIOL, CCR4-NOT transcription complex subunit 11, Gametogenetin-binding protein 2
Authors:Basquin, J, Ozgur, S, Conti, E.
Deposit date:2022-10-26
Release date:2022-12-28
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The human CNOT1-CNOT10-CNOT11 complex forms a structural platform for protein-protein interactions.
Cell Rep, 42, 2023

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