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6JW0
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BU of 6jw0 by Molmil
Universal RVD R* accommodates cytosine via water-mediated interactions
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*CP*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
Authors:Liu, L, Yi, C.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6NV2
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14-3-3 sigma with RelA/p65 binding site pS45 in complex with DP005
Descriptor: (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2019-02-04
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
J.Am.Chem.Soc., 142, 2020
6JW3
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Degenerate RVD RG forms a distinct loop conformation
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
Authors:Liu, L, Yi, C.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6KG9
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BU of 6kg9 by Molmil
Solution structure of CaDoc0917 from Clostridium acetobutylicum
Descriptor: And cellulose-binding endoglucanase family 9 CelL ortholog dockerin domain, CALCIUM ION
Authors:Feng, Y, Yao, X.
Deposit date:2019-07-11
Release date:2020-07-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Discovery and mechanism of a pH-dependent dual-binding-site switch in the interaction of a pair of protein modules.
Sci Adv, 6, 2020
6JW1
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Universal RVD R* accommodates 5mC via water-mediated interactions
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
Authors:Liu, L, Yi, C.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6H5E
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BU of 6h5e by Molmil
Crystal Structure of the GatD/MurT Enzyme Complex from Staphylococcus aureus with bound AMPPNP
Descriptor: DI(HYDROXYETHYL)ETHER, DUF1727 domain-containing protein, GLYCEROL, ...
Authors:Noeldeke, E.R, Niemann, V, Stoerk, E, Stehle, T.
Deposit date:2018-07-24
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.139 Å)
Cite:Structural basis of cell wall peptidoglycan amidation by the GatD/MurT complex of Staphylococcus aureus.
Sci Rep, 8, 2018
7DV3
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BU of 7dv3 by Molmil
Structure of Sulfolobus solfataricus SegA-AMPPNP protein
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SOJ protein (Soj)
Authors:Yen, C.Y, Lin, M.G, Wu, C.T, Hsiao, C.D, Sun, Y.J.
Deposit date:2021-01-12
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Chromosome segregation in Archaea: SegA- and SegB-DNA complex structures provide insights into segrosome assembly.
Nucleic Acids Res., 49, 2021
6JW2
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Universal RVD R* accommodates 5hmC via water-mediated interactions
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5HC)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
Authors:Liu, L, Yi, C.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6O5A
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BU of 6o5a by Molmil
Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with a substrate analog p2-NC in P61
Descriptor: GLYCEROL, HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues.
Acs Omega, 4, 2019
6JVZ
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BU of 6jvz by Molmil
RVD HA specifically contacts 5mC through van der Waals interactions
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
Authors:Liu, L, Yi, C.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
6KG8
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BU of 6kg8 by Molmil
Solution structure of CaCohA2 from Clostridium acetobutylicum
Descriptor: Probably cellulosomal scaffolding protein, secreted cellulose-binding and cohesin domain
Authors:Feng, Y, Yao, X.
Deposit date:2019-07-11
Release date:2020-07-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Discovery and mechanism of a pH-dependent dual-binding-site switch in the interaction of a pair of protein modules.
Sci Adv, 6, 2020
4C99
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BU of 4c99 by Molmil
Mouse ZNRF3 ectodomain in complex with mouse RSPO2 Fu1-Fu2 crystal form I
Descriptor: CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE ZNRF3, R-SPONDIN-2
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2013-10-02
Release date:2013-11-20
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin.
Nat.Commun., 4, 2013
4CAA
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BU of 4caa by Molmil
CLEAVED ANTICHYMOTRYPSIN T345R
Descriptor: ANTICHYMOTRYPSIN
Authors:Lukacs, C.M, Christianson, D.W.
Deposit date:1997-08-14
Release date:1998-02-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Engineering an anion-binding cavity in antichymotrypsin modulates the "spring-loaded" serpin-protease interaction.
Biochemistry, 37, 1998
5LPV
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BU of 5lpv by Molmil
Crystal structure of the BRI1 kinase domain (865-1160) in complex with AMPPNP and Mn from Arabidopsis thaliana
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein BRASSINOSTEROID INSENSITIVE 1
Authors:Bojar, D, Martinez, J, Hothorn, M.
Deposit date:2016-08-15
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the phosphorylated BRI1 kinase domain and implications for brassinosteroid signal initiation.
TO BE PUBLISHED
5LQ4
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BU of 5lq4 by Molmil
The Structure of ThcOx, the First Oxidase Protein from the Cyanobactin Pathways
Descriptor: CyaGox, FLAVIN MONONUCLEOTIDE
Authors:Bent, A.F, Wagner, A, Naismith, J.H.
Deposit date:2016-08-16
Release date:2016-11-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the cyanobactin oxidase ThcOx from Cyanothece sp. PCC 7425, the first structure to be solved at Diamond Light Source beamline I23 by means of S-SAD.
Acta Crystallogr D Struct Biol, 72, 2016
4CN2
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BU of 4cn2 by Molmil
Crystal Structure of the Human Retinoid X Receptor DNA-Binding Domain Bound to the Human Ramp2 Response Element
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*AP*TP*TP*GP*AP*CP*CP*CP*TP*TP*GP*AP*AP*DC *TP*CP*AP)-3', 5'-D(*TP*GP*AP*GP*TP*TP*CP*AP*AP*GP*GP*GP*TP*DC *AP*AP*TP)-3', ...
Authors:McEwen, A.G, Poussin-Courmontagne, P, Osz, J, Rochel, N.
Deposit date:2014-01-21
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:Structural Basis of Natural Promoter Recognition by the Retinoid X Nuclear Receptor.
Sci.Rep., 5, 2015
5M35
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BU of 5m35 by Molmil
The molecular tweezer CLR01 stabilizes a disordered protein-protein interface
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, GLYCEROL, ...
Authors:Bier, D, Ottmann, C.
Deposit date:2016-10-14
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface.
J. Am. Chem. Soc., 139, 2017
5LMY
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BU of 5lmy by Molmil
Solution structure of the m-pmv myristoylated matrix protein
Descriptor: Matrix protein p10
Authors:Prchal, J, Hrabal, R.
Deposit date:2016-08-02
Release date:2016-10-05
Last modified:2019-05-08
Method:SOLUTION NMR
Cite:Membrane Interactions of the Mason-Pfizer Monkey Virus Matrix Protein and Its Budding Deficient Mutants.
J.Mol.Biol., 428, 2016
5MS0
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BU of 5ms0 by Molmil
pseudo-atomic model of the RNA polymerase lambda-based antitermination complex solved by cryo-EM
Descriptor: 30S ribosomal protein S10, Antitermination protein N, DNA-directed RNA polymerase subunit alpha, ...
Authors:Said, N, Krupp, F.
Deposit date:2016-12-29
Release date:2017-05-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite:Structural basis for lambda N-dependent processive transcription antitermination.
Nat Microbiol, 2, 2017
5MN1
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BU of 5mn1 by Molmil
Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 100 K)
Descriptor: 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-12-12
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.79 Å)
Cite:Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MNH
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BU of 5mnh by Molmil
Cationic trypsin in complex with benzamidine (deuterated sample at 295 K)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5MNO
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BU of 5mno by Molmil
Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 295 K)
Descriptor: CALCIUM ION, Cationic trypsin, SULFATE ION, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
7EIF
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BU of 7eif by Molmil
Crystal structure of GAS41 YEATS domain
Descriptor: GLYCEROL, YEATS domain-containing protein 4
Authors:Kikuchi, M, Umehara, T.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:GAS41 promotes H2A.Z deposition through recognition of the N terminus of histone H3 by the YEATS domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
5MPE
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BU of 5mpe by Molmil
26S proteasome in presence of ATP (s2)
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
Authors:Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E.
Deposit date:2016-12-16
Release date:2017-03-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MNB
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BU of 5mnb by Molmil
Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 295 K)
Descriptor: 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.939 Å)
Cite:Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017

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