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7Z2I
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BU of 7z2i by Molmil
TRYPSIN (BOVINE) COMPLEXED WITH compound 4
Descriptor: 5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Schiering, N, Dalvit, C, Vulpetti, A.
Deposit date:2022-02-27
Release date:2022-05-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts.
Chemmedchem, 17, 2022
7Z25
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BU of 7z25 by Molmil
TRYPSIN (BOVINE) COMPLEXED WITH compound 12
Descriptor: 2-(5-bromanyl-7-fluoranyl-2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Schiering, N, Dalvit, C, Vulpetti, A.
Deposit date:2022-02-25
Release date:2022-05-25
Last modified:2022-07-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts.
Chemmedchem, 17, 2022
6KWD
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BU of 6kwd by Molmil
Crystal Structure Analysis of Endo-beta-1,4-Xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ...
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
7Z36
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BU of 7z36 by Molmil
Crystal structure of the KAP1 tripartite motif in complex with the ZNF93 KRAB domain
Descriptor: Endolysin,Transcription intermediary factor 1-beta,Isoform 2 of Transcription intermediary factor 1-beta, SMARCAD1 CUE1 domain, ZINC ION, ...
Authors:Stoll, G.A, Modis, Y.
Deposit date:2022-03-01
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and functional mapping of the KRAB-KAP1 repressor complex.
Embo J., 41, 2022
6KW9
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BU of 6kw9 by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6KWG
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BU of 6kwg by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6KWF
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BU of 6kwf by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ...
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
7YTX
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BU of 7ytx by Molmil
Crystal structure of TLR8 in complex with its antagonist
Descriptor: (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shimizu, T, Sakaniwa, K.
Deposit date:2022-08-16
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A novel Toll-like receptor 7/8-specific antagonist E6742 ameliorates clinically relevant disease parameters in murine models of lupus.
Eur.J.Pharmacol., 957, 2023
6KWC
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BU of 6kwc by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II
Descriptor: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2021-01-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6LQ9
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BU of 6lq9 by Molmil
S109 in complex with CRM1-Ran-RanBP1
Descriptor: (3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione, CHLORIDE ION, Exportin-1, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-01-13
Release date:2021-06-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Guided Design of the First Noncovalent Small-Molecule Inhibitor of CRM1.
J.Med.Chem., 64, 2021
6LLQ
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BU of 6llq by Molmil
Solution NMR structure of de novo Rossmann2x2 fold with most of the core mutated to valine, R2x2_VAL88
Descriptor: VAL88
Authors:Kobayashi, N, Sugiki, T, Fujiwara, T, Koga, R, Yamamoto, M, Kosugi, T, Koga, N.
Deposit date:2019-12-23
Release date:2020-12-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Robust folding of a de novo designed ideal protein even with most of the core mutated to valine.
Proc.Natl.Acad.Sci.USA, 117, 2020
7Z3H
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BU of 7z3h by Molmil
Crystal structure of Iba57 from Chaetomium thermophilum
Descriptor: CITRIC ACID, Transferase-like protein
Authors:Altegoer, F, Mrusek, D, Bange, G.
Deposit date:2022-03-02
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The iron-sulfur cluster assembly (ISC) protein Iba57 executes a tetrahydrofolate-independent function in mitochondrial [4Fe-4S] protein maturation.
J.Biol.Chem., 298, 2022
6SYY
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BU of 6syy by Molmil
Crystal structure of McoA multicopper oxidase from the hyperthermophile Aquifex aeolicus
Descriptor: COPPER (II) ION, OXYGEN ATOM, Periplasmic cell division protein (SufI)
Authors:Borges, P.T, Brissos, V, Cordeiro, T.N, Martins, L.O, Frazao, C.
Deposit date:2019-10-01
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:The Methionine-Rich Loop of Multicopper Oxidase McoA follows Open-To-Close Transitions with a Role in Enzyme Catalysis
Acs Catalysis, 2020
6N1Y
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BU of 6n1y by Molmil
Structure of L509V CAO1 - growth condition 1
Descriptor: CHLORIDE ION, Carotenoid oxygenase, FE (II) ION
Authors:Khadka, N, Kiser, P.D.
Deposit date:2018-11-12
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases.
J.Biol.Chem., 294, 2019
6N21
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BU of 6n21 by Molmil
Structure of wild-type CAO1
Descriptor: CHLORIDE ION, Carotenoid oxygenase, FE (II) ION
Authors:Khadka, N, Kiser, P.D.
Deposit date:2018-11-12
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases.
J.Biol.Chem., 294, 2019
6MGI
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BU of 6mgi by Molmil
Photosynthetic phosphoenolpyruvate carboxylase isoenzyme from maize complexed with the allosteric activator glucose-6-phosphate in its allosteric site
Descriptor: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCOLIC ACID, 6-O-phosphono-alpha-D-glucopyranose, ...
Authors:Gonzalez-Segura, L, Munoz-Clares, R.A.
Deposit date:2018-09-13
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.986 Å)
Cite:Structural and biochemical evidence of the glucose 6-phosphate-allosteric site of maize C4-phosphoenolpyruvate carboxylase: its importance in the overall enzyme kinetics.
Biochem.J., 477, 2020
6T4C
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BU of 6t4c by Molmil
Bovine enterovirus F3 in complex with glutathione
Descriptor: GLUTATHIONE, GLYCEROL, POTASSIUM ION, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I.
Deposit date:2019-10-13
Release date:2020-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Glutathione facilitates enterovirus assembly by binding at a druggable pocket.
Commun Biol, 3, 2020
6LZ2
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BU of 6lz2 by Molmil
Crystal structure of a thermostable green fluorescent protein (TGP) with a synthetic nanobody (Sb44)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Cai, H, Yao, H, Li, T, Hutter, C, Tang, Y, Li, Y, Seeger, M, Li, D.
Deposit date:2020-02-17
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:An improved fluorescent tag and its nanobodies for membrane protein expression, stability assay, and purification.
Commun Biol, 3, 2020
6N20
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BU of 6n20 by Molmil
Structure of L509V CAO1 - growth condition 2
Descriptor: CHLORIDE ION, Carotenoid oxygenase, FE (II) ION
Authors:Khadka, N, Shi, W, Kiser, P.D.
Deposit date:2018-11-12
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases.
J.Biol.Chem., 294, 2019
6TPI
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BU of 6tpi by Molmil
EnvC bound to the FtsX periplasmic domain
Descriptor: Cell division protein FtsX, Murein hydrolase activator EnvC
Authors:Crow, A.
Deposit date:2019-12-13
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into bacterial cell division from a structure of EnvC bound to the FtsX periplasmic domain.
Proc.Natl.Acad.Sci.USA, 117, 2020
7Z6K
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BU of 7z6k by Molmil
CRYSTAL STRUCTURE OF WEISSELLA VIRIDESCENS FEMXVV NON-RIBOSOMAL AMINO ACID TRANSFERASE IN COMPLEX WITH A PEPTIDYL-XNA CONJUGATE
Descriptor: 2'F-ANA (5'-D(P*(A5L)P*(CFL)P*(CFL))-R(P*(A9Z))-3'), GLYCEROL, N-acetyl-alpha-muramic acid, ...
Authors:Li de la Sierra-Gallay, I.
Deposit date:2022-03-11
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Amino-acyl tXNA as inhibitors or amino acid donors in peptide synthesis.
Nucleic Acids Res., 50, 2022
7Z6A
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BU of 7z6a by Molmil
CRYSTAL STRUCTURE OF WEISSELLA VIRIDESCENS FEMXVV NON-RIBOSOMAL AMINO ACID TRANSFERASE IN COMPLEX WITH A PEPTIDYL-XNA CONJUGATE
Descriptor: 2'F-RNA (5'-D(*(GF2)P*(GF2)P*(CFZ)P*(CFZ)P*(AF2)P*(CFZ)P*(CFZ))-R(P*(A9Z))-3'), GLYCEROL, N-acetyl-alpha-muramic acid, ...
Authors:Li de la Sierra-Gallay, I.
Deposit date:2022-03-11
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Amino-acyl tXNA as inhibitors or amino acid donors in peptide synthesis.
Nucleic Acids Res., 50, 2022
7Z5Z
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BU of 7z5z by Molmil
CRYSTAL STRUCTURE OF WEISSELLA VIRIDESCENS FEMXVV NON-RIBOSOMAL AMINO ACID TRANSFERASE IN COMPLEX WITH A PEPTIDYL-XNA CONJUGATE
Descriptor: DNA (5'-D(P*AP*CP*C)-R(P*(A9Z))-3'), GLYCEROL, N-acetyl-alpha-muramic acid, ...
Authors:Li de la Sierra-Gallay, I.
Deposit date:2022-03-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Amino-acyl tXNA as inhibitors or amino acid donors in peptide synthesis.
Nucleic Acids Res., 50, 2022
7Z5Y
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BU of 7z5y by Molmil
CRYSTAL STRUCTURE OF WEISSELLA VIRIDESCENS FEMXVV NON-RIBOSOMAL AMINO ACID TRANSFERASE IN COMPLEX WITH A PEPTIDYL-XNA CONJUGATE
Descriptor: GLYCEROL, HNA (5'-D(P*(6HA)P*(6HC)P*(6HC))-R(P*(A9Z))-3'), N-acetyl-alpha-muramic acid, ...
Authors:Li de la Sierra-Gallay, I.
Deposit date:2022-03-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Amino-acyl tXNA as inhibitors or amino acid donors in peptide synthesis.
Nucleic Acids Res., 50, 2022
6MUN
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BU of 6mun by Molmil
Structure of hRpn10 bound to UBQLN2 UBL
Descriptor: 26S proteasome non-ATPase regulatory subunit 4, Ubiquilin-2
Authors:Chen, X, Walters, K.J.
Deposit date:2018-10-23
Release date:2019-09-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of hRpn10 Bound to UBQLN2 UBL Illustrates Basis for Complementarity between Shuttle Factors and Substrates at the Proteasome.
J.Mol.Biol., 431, 2019

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