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4YGV
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BU of 4ygv by Molmil
Reversal Agent for Dabigatran
Descriptor: GLYCEROL, aDabi-Fab2a heavy chain, aDabi-Fab2a light chain
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-26
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
5NJD
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BU of 5njd by Molmil
Structure of Interleukin 23 in complex with Briakinumab FAb
Descriptor: Briakinumab FAb Heavy chain, Briakinumab FAb Light chain, Interleukin-12 subunit beta, ...
Authors:Bloch, Y, Savvides, S.N.
Deposit date:2017-03-28
Release date:2018-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
4YHM
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BU of 4yhm by Molmil
Reversal Agent for Dabigatran
Descriptor: N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2b heavy chain, aDabi-Fab2b light chain
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-27
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
4YHI
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BU of 4yhi by Molmil
Reversal Agent for Dabigatran
Descriptor: N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2a heavy chain, aDabi-Fab2a light chain
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-27
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
4YHN
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BU of 4yhn by Molmil
Dabigatran Reversal Agent
Descriptor: aDabi-Fab3 heavy chain, aDabi-Fab3 light chain
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-27
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
4YC3
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BU of 4yc3 by Molmil
CDK1/CyclinB1/CKS2 Apo
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ...
Authors:Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A.
Deposit date:2015-02-19
Release date:2016-04-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
4YHO
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BU of 4yho by Molmil
Reversal Agent for Dabigatran
Descriptor: N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab3 heavy chain, aDabi-Fab3 light chain
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-27
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
4YHK
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BU of 4yhk by Molmil
Reversal Agent for Dabigatran
Descriptor: GLYCEROL, N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2a heavy chain, ...
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-27
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
4YHL
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BU of 4yhl by Molmil
Reversal Agent for Dabigatran
Descriptor: aDabi-Fab2b heavy chain, aDabi-Fab2b light chain
Authors:Schiele, F, Nar, H.
Deposit date:2015-02-27
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-guided residence time optimization of a dabigatran reversal agent.
Mabs, 7, 2015
5QCK
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BU of 5qck by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid
Descriptor: 1,2-ETHANEDIOL, 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid, Coagulation factor XI, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
5QCM
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BU of 5qcm by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
8B0H
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BU of 8b0h by Molmil
2C9, C5b9-CD59 cryoEM structure
Descriptor: CD59 glycoprotein, Complement C5, Complement component C6, ...
Authors:Couves, E.C, Gardner, S, Bubeck, D.
Deposit date:2022-09-07
Release date:2023-02-22
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
9EOQ
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BU of 9eoq by Molmil
Cryo-EM Structure of a 1033 Scaffold Base DNA Origami Nanostructure V4 and TBA
Descriptor: DNA (42-MER), DNA (5'-D(P*AP*TP*AP*TP*AP*GP*CP*GP*TP*GP*GP*AP*AP*GP*T)-3')
Authors:Ali, K, Georg, K, Volodymyr, M, Johanna, G, Maximilian, N.H, Lukas, K, Simone, C, Hendrik, D.
Deposit date:2024-03-15
Release date:2024-04-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Designing Rigid DNA Origami Templates for Molecular Visualization Using Cryo-EM.
Nano Lett., 24, 2024
9B55
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BU of 9b55 by Molmil
Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 1
Descriptor: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
9B58
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BU of 9b58 by Molmil
Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 4
Descriptor: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
9B5D
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BU of 9b5d by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - Ub(T) class 1 map and model from consensus
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, Large ribosomal subunit protein eL40B, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
9B59
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BU of 9b59 by Molmil
Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 5
Descriptor: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
9B57
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BU of 9b57 by Molmil
Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 3
Descriptor: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
9B5C
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BU of 9b5c by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - consensus map and model
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, Large ribosomal subunit protein eL40B, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
9B5A
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BU of 9b5a by Molmil
Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 6
Descriptor: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
9FEB
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BU of 9feb by Molmil
Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae in complex with NADP
Descriptor: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SDR family oxidoreductase
Authors:Kapur, B, Nar, H.
Deposit date:2024-05-17
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering
Front Chem Biol, 2024
9B56
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BU of 9b56 by Molmil
Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 2
Descriptor: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
9B5B
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BU of 9b5b by Molmil
Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 7
Descriptor: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
9FE6
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BU of 9fe6 by Molmil
Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae
Descriptor: MAGNESIUM ION, SDR family oxidoreductase
Authors:Kapur, B, Nar, H.
Deposit date:2024-05-17
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.875 Å)
Cite:In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering
Front Chem Biol, 2024
8AW0
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BU of 8aw0 by Molmil
Crystal structure of PksD, the trans-acting acyl hydrolase domain from the bacillaene trans-AT PKS (native)
Descriptor: Polyketide biosynthesis acyltransferase homolog PksD, ZINC ION
Authors:Fage, C.D, Challis, G.L, Lewandowski, J, Jenner, M.
Deposit date:2022-08-28
Release date:2023-08-09
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for acyl hydrolysis in trans-AT polyketide synthases
To Be Published

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數據於2024-07-24公開中

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