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8JGU
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BU of 8jgu by Molmil
Crystal structure of N-terminal domain of exopolyphosphatase from Deinococcus radiodurans
Descriptor: Exopolyphosphatase, SODIUM ION
Authors:Zhao, Y, Dai, S.
Deposit date:2023-05-21
Release date:2024-05-15
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 11, 2024
8JGQ
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BU of 8jgq by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase complexed with P5
Descriptor: Exopolyphosphatase, MAGNESIUM ION, SULFATE ION, ...
Authors:Zhao, Y, Dai, S.
Deposit date:2023-05-21
Release date:2024-05-15
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 11, 2024
8JGO
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BU of 8jgo by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase
Descriptor: Exopolyphosphatase, MAGNESIUM ION, SULFATE ION
Authors:Zhao, Y, Dai, S.
Deposit date:2023-05-21
Release date:2024-05-15
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 11, 2024
8JGP
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BU of 8jgp by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase complexed with pyrophosphate
Descriptor: Exopolyphosphatase, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Zhao, Y, Dai, S.
Deposit date:2023-05-21
Release date:2024-05-15
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 11, 2024
5IL1
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BU of 5il1 by Molmil
Crystal structure of SAM-bound METTL3-METTL14 complex
Descriptor: 1,2-ETHANEDIOL, METTL14, METTL3, ...
Authors:Wang, X, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-03-04
Release date:2016-05-25
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
5IL0
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BU of 5il0 by Molmil
Crystal structural of the METTL3-METTL14 complex for N6-adenosine methylation
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, METTL14, ...
Authors:Wang, X, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-03-04
Release date:2016-05-25
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
5IL2
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BU of 5il2 by Molmil
Crystal structure of SAH-bound METTL3-METTL14 complex
Descriptor: 1,2-ETHANEDIOL, METTL14, METTL3, ...
Authors:Wang, X, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-03-04
Release date:2016-05-25
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (1.606 Å)
Cite:Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
5XN3
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BU of 5xn3 by Molmil
Crystal structure of SPSB2 in complex with a rational designed RGD containing cyclic peptide inhibitor of SPSB2-iNOS interaction
Descriptor: SPRY domain-containing SOCS box protein 2, cR8 peptide from NOS2
Authors:You, T, Kuang, Z.
Deposit date:2017-05-17
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of SPSB2 in complex with a rational designed RGD-containing cyclic peptide inhibitor of SPSB2-iNOS interaction.
Biochem. Biophys. Res. Commun., 489, 2017
8AX1
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BU of 8ax1 by Molmil
Crystal structure of Trametes versicolor glutathione transferase Omega 3S in complex with hydroxy-tetranitro-nitrosyl-ruthenate
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Schwartz, M, Didierjean, C.
Deposit date:2022-08-30
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into the interactions of glutathione transferases with a nitric oxide carrier and sodium nitroprusside.
Biochem.Biophys.Res.Commun., 649, 2023
5WWD
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BU of 5wwd by Molmil
Crystal structure of AtNUDX1
Descriptor: AMMONIUM ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P.
Deposit date:2016-12-31
Release date:2017-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.386 Å)
Cite:Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis.
Mol Plant, 11, 2018
5WY6
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BU of 5wy6 by Molmil
Crystal structure of AtNUDX1 (E56A)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Nudix hydrolase 1, ...
Authors:Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P.
Deposit date:2017-01-11
Release date:2017-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis.
Mol Plant, 11, 2018
7V9U
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BU of 7v9u by Molmil
Cryo-EM structure of E.coli retron-Ec86 (RT-msDNA-RNA) at 3.2 angstrom
Descriptor: DNA (105-MER), RNA (5'-R(P*CP*GP*UP*AP*AP*GP*GP*G)-3'), RNA (81-MER), ...
Authors:Wang, Y.J, Guan, Z.Y, Zou, T.T.
Deposit date:2021-08-26
Release date:2022-08-31
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
6JJ3
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BU of 6jj3 by Molmil
BRD4 in complex with 138A
Descriptor: 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4
Authors:Xu, J, Chen, Y, Jiang, F, Zhu, J.
Deposit date:2019-02-25
Release date:2020-01-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.718 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
7SMG
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BU of 7smg by Molmil
Crystal structure of a (p)ppApp hydrolase from Bacteroides caccae
Descriptor: (p)ppApp hydrolase, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Ahmad, S, Alexei, A.G, Tsang, K.K, Trilesky, S, Kim, Y, Whitney, J.C.
Deposit date:2021-10-25
Release date:2022-11-09
Last modified:2023-05-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of a broadly conserved family of enzymes that hydrolyze (p)ppApp.
Proc.Natl.Acad.Sci.USA, 120, 2023
5CZB
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BU of 5czb by Molmil
HCV NS5B IN COMPLEX WITH LIGAND IDX17119-5
Descriptor: 1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(R)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1H-pyrazole-4-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Pierra, C, Dousson, C, Augustin, M.
Deposit date:2015-07-31
Release date:2016-06-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Synthesis of potent and broad genotypically active NS5B HCV non-nucleoside inhibitors binding to the thumb domain allosteric site 2 of the viral polymerase.
Bioorg.Med.Chem.Lett., 26, 2016
3EE1
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BU of 3ee1 by Molmil
Novel fold of VirA, a type III secretion system effector protein from Shigella flexneri
Descriptor: Effector protein virA
Authors:Davis, J.S.
Deposit date:2008-09-03
Release date:2008-12-16
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Novel fold of VirA, a type III secretion system effector protein from Shigella flexneri
Protein Sci., 17, 2008
7WVM
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BU of 7wvm by Molmil
The complex structure of PD-1 and cemiplimab
Descriptor: Heavy Chain of Cemiplimab, Light Chain of Cemiplimab, Programmed cell death protein 1
Authors:Lu, D, Xu, Z.P, Liu, K.F, Tan, S.G, Gao, G.F, Chai, Y.
Deposit date:2022-02-10
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:PD-1 N58-Glycosylation-Dependent Binding of Monoclonal Antibody Cemiplimab for Immune Checkpoint Therapy.
Front Immunol, 13, 2022
7D5K
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BU of 7d5k by Molmil
CryoEM structure of cotton cellulose synthase isoform 7
Descriptor: Cellulose synthase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Guan, Z.Y, Xue, Y, Yin, P, Zhang, X.L.
Deposit date:2020-09-26
Release date:2021-07-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into homotrimeric assembly of cellulose synthase CesA7 from Gossypium hirsutum.
Plant Biotechnol J, 19, 2021
7DEG
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BU of 7deg by Molmil
Cryo-EM structure of a heme-copper terminal oxidase dimer provides insights into its catalytic mechanism
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione, ...
Authors:Fei, S, Hartmut, M, Yun, Z, Guoliang, Z, Shuangbo, Z.
Deposit date:2020-11-04
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The Unusual Homodimer of a Heme-Copper Terminal Oxidase Allows Itself to Utilize Two Electron Donors.
Angew.Chem.Int.Ed.Engl., 60, 2021
6A53
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BU of 6a53 by Molmil
Crystal structure of DddK
Descriptor: MANGANESE (II) ION, Novel protein with potential Cupin domain
Authors:Zhang, Y.Z, Li, C.Y.
Deposit date:2018-06-21
Release date:2019-02-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Function Analysis Indicates that an Active-Site Water Molecule Participates in Dimethylsulfoniopropionate Cleavage by DddK.
Appl. Environ. Microbiol., 85, 2019
7D3Y
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BU of 7d3y by Molmil
Crystal structure of the osPHR2-osSPX2 complex
Descriptor: INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 2,Isoform 1 of Core histone macro-H2A.1
Authors:Zhang, Q.X, Guan, Z.Y, Zuo, J.Q, Zhang, Z.F, Liu, Z.
Deposit date:2020-09-21
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
7D3T
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BU of 7d3t by Molmil
Crystal structure of OSPHR2 in complex with DNA
Descriptor: DNA (5'-D(P*CP*TP*CP*GP*GP*AP*TP*AP*TP*CP*CP*TP*CP*AP*AP*G)-3'), DNA (5'-D(P*GP*CP*TP*TP*GP*AP*GP*GP*AP*TP*AP*TP*CP*CP*GP*A)-3'), Protein PHOSPHATE STARVATION RESPONSE 2
Authors:Guan, Z.Y, Zhang, Z.F, Liu, Z.
Deposit date:2020-09-20
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
4ZOT
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BU of 4zot by Molmil
Crystal structure of BbKI, a disulfide-free plasma kallikrein inhibitor at 1.4 A resolution
Descriptor: Kunitz-type serine protease inhibitor BbKI
Authors:Shabalin, I.G, Zhou, D, Wlodawer, A, Oliva, M.L.V.
Deposit date:2015-05-06
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of BbKI, a disulfide-free plasma kallikrein inhibitor.
Acta Crystallogr.,Sect.F, 71, 2015
3CXD
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BU of 3cxd by Molmil
Crystal structure of anti-osteopontin antibody 23C3 in complex with its epitope peptide
Descriptor: Fab fragment of anti-osteopontin antibody 23C3, Heavy chain, Light chain, ...
Authors:Du, J, Yang, H, Zhong, C, Ding, J.
Deposit date:2008-04-24
Release date:2008-10-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular basis of recognition of human osteopontin by 23C3, a potential therapeutic antibody for treatment of rheumatoid arthritis
J.Mol.Biol., 382, 2008
1VJ3
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BU of 1vj3 by Molmil
STRUCTURAL STUDIES ON BIO-ACTIVE COMPOUNDS. CRYSTAL STRUCTURE AND MOLECULAR MODELING STUDIES ON THE PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COFACTOR COMPLEX WITH TAB, A HIGHLY SELECTIVE ANTIFOLATE.
Descriptor: ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Rak, D, Luft, J.R, Queener, S.F, Laughton, C.A, Malcolm, F.G.
Deposit date:2004-01-13
Release date:2004-01-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies on bioactive compounds. 30. Crystal structure and molecular modeling studies on the Pneumocystis carinii dihydrofolate reductase cofactor complex with TAB, a highly selective antifolate.
Biochemistry, 39, 2000

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