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5ULL
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BU of 5ull by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN: REDUCED
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
Deposit date:1997-01-09
Release date:1997-03-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
5V4C
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BU of 5v4c by Molmil
Peptide 38136 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoites (CelTOS)
Descriptor: Peptide 38136
Authors:Bermudez, A, Patarroyo, M.E.
Deposit date:2017-03-09
Release date:2018-08-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Peptide 38136 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoites (CelTOS)
To Be Published
7MBM
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BU of 7mbm by Molmil
Cryo-EM structure of MLL1-NCP (H3K4M) complex, mode01
Descriptor: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Dou, Y, Cho, U.
Deposit date:2021-04-01
Release date:2021-12-29
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (4.76 Å)
Cite:Regulation of MLL1 Methyltransferase Activity in Two Distinct Nucleosome Binding Modes.
Biochemistry, 61, 2022
5IO2
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BU of 5io2 by Molmil
Xanthomonas campestris Peroxiredoxin Q - C48S mutant
Descriptor: Bacterioferritin comigratory protein, PHOSPHATE ION, SODIUM ION
Authors:Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A.
Deposit date:2016-03-08
Release date:2016-09-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
5IET
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BU of 5iet by Molmil
Crystal Structure of Mycobacterium Tuberculosis ATP-independent Proteasome activator
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Bacterial proteasome activator, SULFATE ION
Authors:Bai, L, Hu, K, Wang, T, Jastrab, J.B, Darwin, K.H, Li, H.
Deposit date:2016-02-25
Release date:2016-03-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural analysis of the dodecameric proteasome activator PafE in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 113, 2016
7LNV
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BU of 7lnv by Molmil
Apo Structure of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus
Descriptor: GLYCEROL, Isopentenyl phosphate kinase, MALONATE ION
Authors:Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R.
Deposit date:2021-02-08
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
7LUH
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BU of 7luh by Molmil
Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment bromophenoxy propanamide
Descriptor: (2~{R})-2-(4-bromanylphenoxy)propanamide, Thiol:disulfide interchange protein
Authors:Petit, G.A, Martin, J.L, McMahon, R.M.
Deposit date:2021-02-22
Release date:2022-01-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA.
Acta Crystallogr D Struct Biol, 78, 2022
5VEU
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BU of 5veu by Molmil
Human Cytochrome P450 3A5 (CYP3A5)
Descriptor: Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR
Authors:Hsu, M.-H, Johnson, E.F.
Deposit date:2017-04-05
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:The X-Ray Crystal Structure of the Human Mono-Oxygenase Cytochrome P450 3A5-Ritonavir Complex Reveals Active Site Differences between P450s 3A4 and 3A5.
Mol. Pharmacol., 93, 2018
7LUJ
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BU of 7luj by Molmil
Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment 4-methoxy-N-phenylbenzenesulfonamide
Descriptor: 4-methoxy-~{N}-phenyl-benzenesulfonamide, SULFATE ION, Thiol:disulfide interchange protein
Authors:Petit, G.A, Martin, J.L, McMahon, R.M.
Deposit date:2021-02-22
Release date:2022-01-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA.
Acta Crystallogr D Struct Biol, 78, 2022
7LTY
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BU of 7lty by Molmil
Bruton's tyrosine kinase in complex with compound 23
Descriptor: DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2021-02-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
5VG1
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BU of 5vg1 by Molmil
Neutron crystallographic structure of a Jonesia denitrificans lytic polysaccharide monooxygenase
Descriptor: COPPER (II) ION, Chitinase, PEROXIDE ION
Authors:Bacik, J.-P, Unkefer, C.J, Chen, J.C.H.
Deposit date:2017-04-10
Release date:2017-05-24
Last modified:2024-10-30
Method:NEUTRON DIFFRACTION (2.1 Å)
Cite:Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation.
Biochemistry, 56, 2017
5VGL
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BU of 5vgl by Molmil
Crystal structure of lachrymatory factor synthase from Allium cepa
Descriptor: Lachrymatory-factor synthase
Authors:Silvaroli, J.A, Pleshinger, M.J, Banerjee, S, Kiser, P.D, Golczak, M.
Deposit date:2017-04-11
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enzyme That Makes You Cry-Crystal Structure of Lachrymatory Factor Synthase from Allium cepa.
ACS Chem. Biol., 12, 2017
7LVZ
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BU of 7lvz by Molmil
Crystal structure of ADO
Descriptor: 2-aminoethanethiol dioxygenase, CHLORIDE ION, FE (II) ION, ...
Authors:Bingman, C.A, Fernandez, R.L, Smith, R.W, Fox, B.G, Brunold, T.C.
Deposit date:2021-02-26
Release date:2022-01-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The Crystal Structure of Cysteamine Dioxygenase Reveals the Origin of the Large Substrate Scope of This Vital Mammalian Enzyme.
Biochemistry, 60, 2021
5VGR
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BU of 5vgr by Molmil
Human Atlastin-3, GDP-bound
Descriptor: Atlastin-3, GUANOSINE-5'-DIPHOSPHATE
Authors:O'Donnell, J.P, Sondermann, H.
Deposit date:2017-04-11
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Timing and Reset Mechanism of GTP Hydrolysis-Driven Conformational Changes of Atlastin.
Structure, 25, 2017
7M4O
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BU of 7m4o by Molmil
Crystal structure of phosphorylated RBR E3 ligase RNF216 in complex with K63-linked di-ubiquitin
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, E3 ubiquitin-protein ligase RNF216, GLYCEROL, ...
Authors:Cotton, T.R, Lechtenberg, B.C.
Deposit date:2021-03-21
Release date:2022-01-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural basis of K63-ubiquitin chain formation by the Gordon-Holmes syndrome RBR E3 ubiquitin ligase RNF216.
Mol.Cell, 82, 2022
5IPL
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BU of 5ipl by Molmil
SigmaS-transcription initiation complex with 4-nt nascent RNA
Descriptor: DIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Zuo, Y, Steitz, T.A.
Deposit date:2016-03-09
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structures of E. coli sigma S-transcription initiation complexes provide new insights into polymerase mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
7M4M
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BU of 7m4m by Molmil
Crystal structure of RBR E3 ligase RNF216 with ubiquitin
Descriptor: E3 ubiquitin-protein ligase RNF216, GLYCEROL, Ubiquitin, ...
Authors:Cotton, T.R, Lechtenberg, B.C.
Deposit date:2021-03-21
Release date:2022-01-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural basis of K63-ubiquitin chain formation by the Gordon-Holmes syndrome RBR E3 ubiquitin ligase RNF216.
Mol.Cell, 82, 2022
5VH2
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BU of 5vh2 by Molmil
Crystal Structure of Mouse Cadherin-23 EC12-13 with Engineered Mutation S1339D
Descriptor: CALCIUM ION, Cadherin-23, SODIUM ION
Authors:Termine, D.J, Jaiganesh, A, Sotomayor, M.
Deposit date:2017-04-12
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness.
Structure, 26, 2018
7M6C
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BU of 7m6c by Molmil
Crystal structure of PLA2 from snake venom of peruvian Bothrops atrox
Descriptor: Basic phospholipase A2, LAURIC ACID
Authors:Leonardo, D.A, Chojnowski, G, Simpkin, A, Seifert-Davila, W, Vivas-Ruiz, D.E, Keegan, R, Rigden, D.
Deposit date:2021-03-25
Release date:2022-01-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM
Iucrj, 9, 2022
5IQ4
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BU of 5iq4 by Molmil
Crystal structure of RnTmm mutant Y207S soaking
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, Y.Z, Li, C.Y.
Deposit date:2016-03-10
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide
Mol. Microbiol., 103, 2017
5VDC
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BU of 5vdc by Molmil
Crystal structure of the human DPF2 tandem PHD finger domain
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, ZINC ION, ...
Authors:Huber, F.M, Davenport, A.M, Hoelz, A.
Deposit date:2017-04-01
Release date:2017-05-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Histone-binding of DPF2 mediates its repressive role in myeloid differentiation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7LL4
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BU of 7ll4 by Molmil
High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-114.
Descriptor: Tyrosine-protein kinase JAK2, {1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-02-03
Release date:2022-01-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:High-resolution crystal structure of human Janus Kinase 2 kinase domain (JH1) bound to PN5-114.
To Be Published
5VHE
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BU of 5vhe by Molmil
DHX36 in complex with the c-Myc G-quadruplex
Descriptor: DEAH (Asp-Glu-Ala-His) box polypeptide 36, DNA (5'-D(*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*TP*TP*TP*TP*TP*T)-3'), POTASSIUM ION
Authors:Chen, M, Ferre-D'Amare, A.
Deposit date:2017-04-13
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.793 Å)
Cite:Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
7M4N
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BU of 7m4n by Molmil
Crystal structure of RBR E3 ligase RNF216 in complex with K63-linked di-ubiquitin
Descriptor: E3 ubiquitin-protein ligase RNF216, GLYCEROL, SULFATE ION, ...
Authors:Cotton, T.R, Lechtenberg, B.C.
Deposit date:2021-03-21
Release date:2022-01-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structural basis of K63-ubiquitin chain formation by the Gordon-Holmes syndrome RBR E3 ubiquitin ligase RNF216.
Mol.Cell, 82, 2022
5VHR
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BU of 5vhr by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
Descriptor: 26S proteasome non-ATPase regulatory subunit 10, 26S proteasome non-ATPase regulatory subunit 2, 26S proteasome regulatory subunit 10B, ...
Authors:Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y.
Deposit date:2017-04-13
Release date:2017-08-23
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017

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數據於2025-10-22公開中

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