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4FA4
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BU of 4fa4 by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 10 Days
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-21
Release date:2013-03-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FA5
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BU of 4fa5 by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 20 Days
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-21
Release date:2013-03-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FA9
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BU of 4fa9 by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 30 Days
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-21
Release date:2013-03-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FB1
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BU of 4fb1 by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, HEME C, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-22
Release date:2013-03-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FAV
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BU of 4fav by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-22
Release date:2013-03-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
6MAE
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BU of 6mae by Molmil
CHAIN A. UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase PA-LPXC Complexed with (R)-3-((S)-3-(4-(cyclopropylethynyl)phenyl)-2-oxooxazolidin-5-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)propenamide
Descriptor: (2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Shu, W.
Deposit date:2018-08-27
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Application of Virtual Screening to the Identification of New LpxC Inhibitor Chemotypes, Oxazolidinone and Isoxazoline.
J. Med. Chem., 61, 2018
6PEU
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BU of 6peu by Molmil
Structure of YcaO enzyme from Methanocaldococcus jannaschii in complex with peptide
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLY-ARG-LEU-GLY-PHE-TYR-GLY-TYR-ASP-LEU-GLN-ASP, MAGNESIUM ION, ...
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2019-06-20
Release date:2019-11-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanistic Basis for Ribosomal Peptide Backbone Modifications.
Acs Cent.Sci., 5, 2019
6PE3
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BU of 6pe3 by Molmil
Structure of YcaO enzyme from Methanocaldococcus jannaschii in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized protein MJ1094
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2019-06-19
Release date:2020-01-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanistic Basis for Ribosomal Peptide Backbone Modifications.
Acs Cent.Sci., 5, 2019
7JII
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BU of 7jii by Molmil
HRAS A59E GDP
Descriptor: CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Johnson, C.W, Haigis, K.M.
Deposit date:2020-07-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.532 Å)
Cite:Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
7JIF
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BU of 7jif by Molmil
HRAS A59T GppNHp
Descriptor: GLYCEROL, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Haigis, K.M.
Deposit date:2020-07-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.757 Å)
Cite:Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
7JIH
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BU of 7jih by Molmil
HRAS A59E GppNHp
Descriptor: GLYCEROL, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Haigis, K.M.
Deposit date:2020-07-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.989 Å)
Cite:Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
7JIG
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BU of 7jig by Molmil
HRAS A59T GppNHp crystal 2
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Johnson, C.W, Haigis, K.M.
Deposit date:2020-07-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.322 Å)
Cite:Regulation of GTPase function by autophosphorylation.
Mol.Cell, 82, 2022
1TMB
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BU of 1tmb by Molmil
MOLECULAR BASIS FOR THE INHIBITION OF HUMAN ALPHA-THROMBIN BY THE MACROCYCLIC PEPTIDE CYCLOTHEONAMIDE A
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ...
Authors:Qiu, X, Padmanabhan, K.P, Maryanoff, B.E, Tulinsky, A.
Deposit date:1993-05-27
Release date:1994-01-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the inhibition of human alpha-thrombin by the macrocyclic peptide cyclotheonamide A.
Proc.Natl.Acad.Sci.USA, 90, 1993
7XCT
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BU of 7xct by Molmil
Cryo-EM structure of Dot1L and H2BK34ub-H3K79Nle nucleosome 2:1 complex
Descriptor: DNA (145-MER), Histone H2A, Histone H2B type 1-K, ...
Authors:Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L.
Deposit date:2022-03-25
Release date:2022-04-20
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
7XCR
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BU of 7xcr by Molmil
Cryo-EM structure of Dot1L and H2BK34ub-H3K79Nle nucleosome 1:1 complex
Descriptor: DNA (146-MER), Histone H2A, Histone H2B type 1-K, ...
Authors:Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L.
Deposit date:2022-03-25
Release date:2022-04-20
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
7XD0
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BU of 7xd0 by Molmil
cryo-EM structure of H2BK34ub nucleosome
Descriptor: DNA (146-MER), Histone H2A, Histone H2B type 1-K, ...
Authors:Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L.
Deposit date:2022-03-26
Release date:2022-04-20
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
7XD1
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BU of 7xd1 by Molmil
cryo-EM structure of unmodified nucleosome
Descriptor: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
Authors:Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L.
Deposit date:2022-03-26
Release date:2022-04-20
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity.
Nat.Chem.Biol., 18, 2022
9CDU
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BU of 9cdu by Molmil
Crystal Structure of Rhombotarget A-peptide Complex
Descriptor: RBB_D10 peptide, Rhombotarget A, TETRAETHYLENE GLYCOL
Authors:Bera, A.K, Rettie, S, Kang, A, Bhardwaj, G.
Deposit date:2024-06-25
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Accurate de novo design of high-affinity protein-binding macrocycles using deep learning.
Nat.Chem.Biol., 2025
9CDV
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BU of 9cdv by Molmil
Crystal Structure of Rhombotarget A
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Rhombotarget A
Authors:Bera, A.K, Rettie, S, Kang, A, Bhardwaj, G.
Deposit date:2024-06-25
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Accurate de novo design of high-affinity protein-binding macrocycles using deep learning.
Nat.Chem.Biol., 2025
9CDT
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BU of 9cdt by Molmil
Crystal Structure of MCL-1-Peptide Complex
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, MCB_D2 peptide
Authors:Bera, A.K, Rettie, S, Kang, A, Bhardwaj, G.
Deposit date:2024-06-25
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Accurate de novo design of high-affinity protein-binding macrocycles using deep learning.
Nat.Chem.Biol., 2025
8GTH
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BU of 8gth by Molmil
Crystal strucuture of cyt c551 from anoxygenic phototrophic bacterium Roseiflexus castenholzii
Descriptor: Cytochrome c class I, HEME C
Authors:Min, Z.Z, Meng, H.L, Xu, X.L.
Deposit date:2022-09-08
Release date:2023-09-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A cytochrome c 551 mediates the cyclic electron transport chain of the anoxygenic phototrophic bacterium Roseiflexus castenholzii.
Plant Commun., 5, 2024
3IE9
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BU of 3ie9 by Molmil
Structure of oxidized M98L mutant of amicyanin
Descriptor: ACETATE ION, Amicyanin, CHLORIDE ION, ...
Authors:Sukumar, N, Davidson, V.L.
Deposit date:2009-07-22
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Defining the role of the axial ligand of the type 1 copper site in amicyanin by replacement of methionine with leucine.
Biochemistry, 48, 2009
3IEA
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BU of 3iea by Molmil
Structure of reduced M98L mutant of amicyanin
Descriptor: ACETATE ION, Amicyanin, CHLORIDE ION, ...
Authors:Sukumar, N, Davidson, V.L.
Deposit date:2009-07-22
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Defining the role of the axial ligand of the type 1 copper site in amicyanin by replacement of methionine with leucine.
Biochemistry, 48, 2009
7X6S
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BU of 7x6s by Molmil
lymphocytic choriomeningitis virus RNA-dependent RNA polymerase (LCMV-L protein)
Descriptor: MANGANESE (II) ION, RNA-directed RNA polymerase L
Authors:Liu, L, Lou, Z.
Deposit date:2022-03-08
Release date:2023-09-13
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure basis for allosteric regulation of lymphocytic choriomeningitis virus polymerase function by Z matrix protein.
Protein Cell, 14, 2023
7X6V
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BU of 7x6v by Molmil
lymphocytic choriomeningitis virus polymerase- Matrix Z Protein Complex (LCMV L-Z Complex)
Descriptor: MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
Authors:Liu, L, Lou, Z.
Deposit date:2022-03-08
Release date:2023-09-13
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure basis for allosteric regulation of lymphocytic choriomeningitis virus polymerase function by Z matrix protein.
Protein Cell, 14, 2023

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