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6NYE
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BU of 6nye by Molmil
Crystal structure of computationally designed protein XAX
Descriptor: Design construct XAX
Authors:Wei, K.Y, Bick, M.J.
Deposit date:2019-02-11
Release date:2020-04-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NZ1
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BU of 6nz1 by Molmil
Crystal structure of computationally designed protein XXA_GVDQ
Descriptor: Design construct XXA_GVDQ
Authors:Wei, K.Y, Bick, M.J.
Deposit date:2019-02-12
Release date:2020-04-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NYI
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BU of 6nyi by Molmil
Crystal structure of computationally designed protein XXA
Descriptor: Design construct XXA
Authors:Wei, K.Y, Bick, M.J.
Deposit date:2019-02-11
Release date:2020-04-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NYK
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BU of 6nyk by Molmil
Crystal structure of computationally designed protein XAX_GGDQ
Descriptor: Design construct XAX_GGDQ
Authors:Wei, K.Y, Bick, M.J.
Deposit date:2019-02-11
Release date:2020-04-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
4DE5
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BU of 4de5 by Molmil
Pantothenate synthetase in complex with fragment 6
Descriptor: (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L.
Deposit date:2012-01-19
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
4DO3
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BU of 4do3 by Molmil
Structure of FAAH with a non-steroidal anti-inflammatory drug
Descriptor: (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid, CHLORIDE ION, CYCLOHEXANE AMINOCARBOXYLIC ACID, ...
Authors:Garau, G.
Deposit date:2012-02-09
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A Binding Site for Nonsteroidal Anti-inflammatory Drugs in Fatty Acid Amide Hydrolase.
J.Am.Chem.Soc., 135, 2013
6OPH
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BU of 6oph by Molmil
phosphorylated ERK2 with GDC-0994
Descriptor: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
Authors:Vigers, G.P, Smith, D.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OLD
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BU of 6old by Molmil
CSP1-cyc(Dap6E10)
Descriptor: Competence-stimulating peptide type 1
Authors:Yang, Y.
Deposit date:2019-04-16
Release date:2020-01-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae.
Proc.Natl.Acad.Sci.USA, 117, 2020
6OJJ
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BU of 6ojj by Molmil
Structure of ScAtg3 with truncations in N-terminal and flexible region (FR)
Descriptor: Autophagy-related protein 3,Autophagy-related protein 3, GLYCEROL
Authors:Zheng, Y, Qiu, Y, Schulman, B.A.
Deposit date:2019-04-11
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:A switch element in the autophagy E2 Atg3 mediates allosteric regulation across the lipidation cascade.
Nat Commun, 10, 2019
5II3
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BU of 5ii3 by Molmil
The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and compound 3, a platin(II) compound containing a O, S bidentate ligand
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2016-03-01
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.
Dalton Trans, 45, 2016
5IKE
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BU of 5ike by Molmil
Crystal structure of mutant-D97N of peptidyl-tRNA hydrolase from Vibrio cholerae
Descriptor: Peptidyl-tRNA hydrolase
Authors:Shahid, S, Kabra, A, Pal, R.K, Arora, A.
Deposit date:2016-03-03
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Unraveling the stereochemical and dynamic aspects of the catalytic site of bacterial peptidyl-tRNA hydrolase.
RNA, 23, 2017
5IMB
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BU of 5imb by Molmil
Crystal structure of peptidyl-tRNA hydrolase mutant-N14D from Vibrio cholerae
Descriptor: Peptidyl-tRNA hydrolase
Authors:Shahid, S, Kabra, A, Pal, R.K, Arora, A.
Deposit date:2016-03-06
Release date:2017-03-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Unraveling the stereochemical and dynamic aspects of the catalytic site of bacterial peptidyl-tRNA hydrolase.
RNA, 23, 2017
5IQX
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BU of 5iqx by Molmil
1.05A resolution structure of Holo HasAp (R33A) from Pseudomonas aeruginosa
Descriptor: D-MALATE, Heme acquisition protein HasAp, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kumar, R, Lovell, S, Battaile, K.P, Yao, H, Rivera, M.
Deposit date:2016-03-11
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Replacing Arginine 33 for Alanine in the Hemophore HasA from Pseudomonas aeruginosa Causes Closure of the H32 Loop in the Apo-Protein.
Biochemistry, 55, 2016
7ALG
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BU of 7alg by Molmil
The RSLex - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0
Descriptor: Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ...
Authors:Ramberg, K, Engilberge, S, Crowley, P.B.
Deposit date:2020-10-06
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.452 Å)
Cite:Facile Fabrication of Protein-Macrocycle Frameworks.
J.Am.Chem.Soc., 143, 2021
5IQW
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BU of 5iqw by Molmil
1.95A resolution structure of Apo HasAp (R33A) from Pseudomonas aeruginosa
Descriptor: ACETATE ION, CADMIUM ION, Heme acquisition protein HasAp
Authors:Kumar, R, Lovell, S, Battaile, K.P, Yao, H, Rivera, M.
Deposit date:2016-03-11
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Replacing Arginine 33 for Alanine in the Hemophore HasA from Pseudomonas aeruginosa Causes Closure of the H32 Loop in the Apo-Protein.
Biochemistry, 55, 2016
7ALF
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BU of 7alf by Molmil
The dimethylated RSL - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0
Descriptor: Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ...
Authors:Ramberg, K, Engilberge, S, Crowley, P.B.
Deposit date:2020-10-06
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.261 Å)
Cite:Facile Fabrication of Protein-Macrocycle Frameworks.
J.Am.Chem.Soc., 143, 2021
6OMY
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BU of 6omy by Molmil
Protein Tyrosine Phosphatase 1B (1-301), P180A mutant, apo state
Descriptor: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Cui, D.S, Lipchock, J.M, Loria, J.P.
Deposit date:2019-04-19
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
7APE
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BU of 7ape by Molmil
Crystal structure of LpqY from Mycobacterium thermoresistible in complex with trehalose
Descriptor: Lipoprotein (Sugar-binding) lpqY, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Furze, C.M, Guy, C.M, Angula, J, Cameron, A.D, Fullam, E.
Deposit date:2020-10-16
Release date:2021-04-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of trehalose recognition by the mycobacterial LpqY-SugABC transporter.
J.Biol.Chem., 296, 2021
6ZUZ
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BU of 6zuz by Molmil
TFIIS N-terminal domain (TND) from human Elongin-A
Descriptor: Elongin-A
Authors:Veverka, V.
Deposit date:2020-07-23
Release date:2021-12-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
7ACB
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BU of 7acb by Molmil
Covalent/noncovalent tetramer of Capra hircus Cathelicidin-1 in DPC (dodecylphosphocholine) micelles
Descriptor: Capra hircus Cathelicidin-1 (dodecylphosphocholine)
Authors:Myshkin, M.Y, Mironov, P, Shenkarev, Z.O.
Deposit date:2020-09-10
Release date:2021-09-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Dodecapeptide Cathelicidins of Cetartiodactyla: Structure, Mechanism of Antimicrobial Action, and Synergistic Interaction With Other Cathelicidins
Front Microbiol, 12, 2021
7AAF
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BU of 7aaf by Molmil
Structural evolution of the tissue-specific U2AF2 paralog and alternative splicing factor LS2
Descriptor: U2 snRNP auxiliary factor large subunit
Authors:Kawale, A.A, Kang, H.S, Sattler, M.
Deposit date:2020-09-04
Release date:2021-10-06
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural evolution of the tissue-specific U2AF2 paralog and alternative splicing factor LS2
To Be Published
6ZV4
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BU of 6zv4 by Molmil
Human TFIIS N-terminal domain in complex with IWS1
Descriptor: Transcription elongation factor A protein 1,Protein IWS1 homolog
Authors:Veverka, V.
Deposit date:2020-07-23
Release date:2021-12-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6ZV0
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BU of 6zv0 by Molmil
TFIIS N-terminal domain (TND) from human LEDGF/p75
Descriptor: PC4 and SFRS1-interacting protein
Authors:Veverka, V.
Deposit date:2020-07-23
Release date:2021-12-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6ZUY
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BU of 6zuy by Molmil
Human TFIIS N-terminal domain (TND)
Descriptor: Transcription elongation factor A protein 1
Authors:Veverka, V.
Deposit date:2020-07-23
Release date:2021-12-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
7AAO
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BU of 7aao by Molmil
Structural evolution of the tissue-specific U2AF2 paralog and alternative splicing factor LS2
Descriptor: U2 snRNP auxiliary factor large subunit
Authors:Kawale, A.A, Kang, H.S, Sattler, M.
Deposit date:2020-09-04
Release date:2021-10-06
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural evolution of the tissue-specific U2AF2 paralog and alternative splicing factor LS2
To Be Published

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PDB entries from 2024-07-17

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