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5ICY
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BU of 5icy by Molmil
Cetuximab Fab in complex with linear meditope
Descriptor: Cetuximab Fab heavy chain, Cetuximab Fab light chain, Meditope, ...
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2016-02-23
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5I1D
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BU of 5i1d by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV4-1
Descriptor: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION
Authors:Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
Deposit date:2016-02-05
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural diversity in a human antibody germline library.
Mabs, 8, 2016
5I5P
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BU of 5i5p by Molmil
Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157) in complex with co-purified 4-hydroxybenzoate
Descriptor: BROMIDE ION, DI(HYDROXYETHYL)ETHER, P-HYDROXYBENZOIC ACID, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Hogle, S.L, Dupont, C.L, Almo, S.C.
Deposit date:2016-02-15
Release date:2017-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157) in complex with co-purified 4-hydroxybenzoate
To Be Published
5ICZ
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BU of 5icz by Molmil
Cetuximab Fab in complex with GQFDLSTRRLKG peptide
Descriptor: Cetuximab Fab heavy chain, Cetuximab Fab light chain, Meditope, ...
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2016-02-23
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
7B4D
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BU of 7b4d by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C/S240R double mutant bound to DNA and MQ: R273C/S240R-DNA-MQ
Descriptor: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ...
Authors:Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z.
Deposit date:2020-12-02
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B4G
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BU of 7b4g by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA: R282W-MQ (II)
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, ...
Authors:Degtjarik, O, Rozenberg, H, Shakked, Z.
Deposit date:2020-12-02
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B4F
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BU of 7b4f by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA: R282W-MQ (I)
Descriptor: Cellular tumor antigen p53, DNA target, FORMIC ACID, ...
Authors:Rozenberg, H, Degtjarik, O, Shakked, Z.
Deposit date:2020-12-02
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
5ITV
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BU of 5itv by Molmil
Crystal structure of Bacillus subtilis BacC Dihydroanticapsin 7-dehydrogenase in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Dihydroanticapsin 7-dehydrogenase
Authors:Perinbam, K, Balaram, H, Row, T.N.G, Gopal, B.
Deposit date:2016-03-17
Release date:2017-02-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Probing the influence of non-covalent contact networks identified by charge density analysis on the oxidoreductase BacC.
Protein Eng. Des. Sel., 30, 2017
7TX5
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BU of 7tx5 by Molmil
Neutron crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at 293 K (C2 crystal form)
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Papain-like protease nsp3
Authors:Correy, G.J, Fraser, J.S, Kovalevsky, A.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.95 Å), X-RAY DIFFRACTION
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7TX3
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BU of 7tx3 by Molmil
Neutron crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P43 crystal form)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S, Meilleur, F.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
5J0R
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BU of 5j0r by Molmil
Binary complex crystal structure of DNA polymerase Beta with C:A mismatch at the primer terminus
Descriptor: DNA polymerase beta, Downstream Primer Strand, Primer Strand, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2016-03-28
Release date:2016-10-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
5J0X
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BU of 5j0x by Molmil
Binary complex crystal structure of DNA polymerase Beta with T:G mismatch at the primer terminus
Descriptor: DNA polymerase beta, Downstream Primer Strand, Primer Strand, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2016-03-28
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
7TX4
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BU of 7tx4 by Molmil
Neutron crystal structure of SARS-CoV-2 NSP3 macrodomain at 293 K (P21 crystal form)
Descriptor: Papain-like protease nsp3
Authors:Correy, G.J, Fraser, J.S, Kovalevsky, A.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022
7U9C
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BU of 7u9c by Molmil
Crystal Structure of the wild type Escherichia coli Pyridoxal 5'-phosphate homeostasis protein (YGGS)
Descriptor: PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
Authors:Donkor, A.K, Ghatge, M.S, Safo, M.K, Musayev, F.N.
Deposit date:2022-03-10
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
3J7R
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BU of 3j7r by Molmil
Structure of the translating mammalian ribosome-Sec61 complex
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:Voorhees, R.M, Fernandez, I.S, Scheres, S.H.W, Hegde, R.S.
Deposit date:2014-08-01
Release date:2014-09-03
Last modified:2019-10-30
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of the Mammalian ribosome-sec61 complex to 3.4 a resolution.
Cell(Cambridge,Mass.), 157, 2014
3J8A
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BU of 3j8a by Molmil
Structure of the F-actin-tropomyosin complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:von der Ecken, J, Mueller, M, Lehman, W, Manstein, J.M, Penczek, A.P, Raunser, S.
Deposit date:2014-10-08
Release date:2014-12-10
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the F-actin--tropomyosin complex.
Nature, 519, 2015
7U9H
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BU of 7u9h by Molmil
Crystal Structure of Escherichia coli apo Pyridoxal 5'-phosphate homeostasis protein (YGGS)
Descriptor: Pyridoxal phosphate homeostasis protein, SULFATE ION
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-10
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
3WEF
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BU of 3wef by Molmil
Crystal structure of the human squalene synthase in complex with farnesyl thiopyrophosphate
Descriptor: S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Squalene synthase
Authors:Liu, C.I, Jeng, W.Y, Wang, A.H.J.
Deposit date:2013-07-07
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into the catalytic mechanism of human squalene synthase.
Acta Crystallogr.,Sect.D, 70, 2014
5J0W
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BU of 5j0w by Molmil
Binary complex crystal structure of DNA polymerase Beta with T:C mismatch at the primer terminus
Descriptor: DNA polymerase beta, Downstream Primer Strand, Primer Strand, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2016-03-28
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
4XGI
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BU of 4xgi by Molmil
Crystal structure of Glutamate dehydrogenase from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, Glutamate dehydrogenase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-12-30
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Glutamate dehydrogenase from Burkholderia thailandensis
to be published
5J2K
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BU of 5j2k by Molmil
Ternary complex crystal structure of DNA polymerase Beta with T:T mismatch at the primer terminus
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA polymerase beta, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2016-03-29
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
4XFK
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BU of 4xfk by Molmil
Crystal structure of Leucine-, Isoleucine-, Valine-, Threonine-, and Alanine-binding protein from Brucella ovis
Descriptor: ACETATE ION, Putative branched chain amino acid ABC transporter, periplasmic amino acid-binding protein, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-12-27
Release date:2015-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of Leucine-, Isoleucine-, Valine-, Threonine-, and Alanine-binding protein from Brucella ovis
to be published
3K5K
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BU of 3k5k by Molmil
Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a
Descriptor: 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ...
Authors:Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2009-10-07
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a.
J.Med.Chem., 52, 2009
5J2A
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BU of 5j2a by Molmil
Ternary complex crystal structure of DNA polymerase Beta with A:C mismatch at the primer terminus
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA polymerase beta, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2016-03-29
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
5J2F
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BU of 5j2f by Molmil
Ternary complex crystal structure of DNA polymerase Beta with G:A mismatch at the primer terminus
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA polymerase beta, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2016-03-29
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016

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