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7ZT8
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BU of 7zt8 by Molmil
Structure of E8 TCR in complex in human MR1 bound to 3FBA
Descriptor: 1,2-ETHANEDIOL, 3-methylbenzoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
Authors:Karuppiah, V, Srikannathasan, V, Robinson, R.A.
Deposit date:2022-05-09
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
J.Exp.Med., 220, 2023
6UOG
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BU of 6uog by Molmil
Asparaginase II from Escherichia coli
Descriptor: ASPARTIC ACID, L-asparaginase 2
Authors:Araujo, T.S, Almeida, M.S, Lima, L.M.T.R.
Deposit date:2019-10-14
Release date:2020-10-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Biophysical characterization of two commercially available preparations of the drug containing Escherichia coli L-Asparaginase 2.
Biophys.Chem., 271, 2021
5MW9
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BU of 5mw9 by Molmil
Complex between the Leucine Zipper (LZ) and Centrosomin-motif 2 (CM2) domains of Drosophila melanogaster Centrosomin (Cnn) - L535E mutant form
Descriptor: Centrosomin, ZINC ION
Authors:Feng, Z, Johnson, S, Raff, J.W, Lea, S.M.
Deposit date:2017-01-18
Release date:2017-06-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Mitotic Centrosome Assembly in Flies.
Cell, 169, 2017
6UOD
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BU of 6uod by Molmil
Asparaginase II from Escherichia coli
Descriptor: L-asparaginase 2
Authors:Araujo, T.S, Almeida, M.S, Lima, L.M.T.R.
Deposit date:2019-10-14
Release date:2020-10-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biophysical characterization of two commercially available preparations of the drug containing Escherichia coli L-Asparaginase 2.
Biophys.Chem., 271, 2021
5MVW
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BU of 5mvw by Molmil
Complex between the Leucine Zipper (LZ) and Centrosomin-motif 2 (CM2) domains of Drosophila melanogaster Centrosomin (Cnn)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Centrosomin, ...
Authors:Feng, Z, Johnson, S, Raff, J.W, Lea, S.M.
Deposit date:2017-01-17
Release date:2017-06-28
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Basis for Mitotic Centrosome Assembly in Flies.
Cell, 169, 2017
5MW0
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BU of 5mw0 by Molmil
Complex between the Leucine Zipper (LZ) and Centrosomin-motif 2 (CM2) domains of Drosophila melanogaster Centrosomin (Cnn) - L535E mutant form
Descriptor: Centrosomin, ZINC ION
Authors:Feng, Z, Johnson, S, Raff, J.W, Lea, S.M.
Deposit date:2017-01-17
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Mitotic Centrosome Assembly in Flies.
Cell, 169, 2017
8A62
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BU of 8a62 by Molmil
Small molecule stabilizer (compound 2) for FOXO1 and 14-3-3
Descriptor: (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ...
Authors:Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
Deposit date:2022-06-16
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8A6H
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BU of 8a6h by Molmil
Small molecule stabilizer (compound 7) for C-RAF and 14-3-3
Descriptor: 14-3-3 protein sigma, 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one, CHLORIDE ION, ...
Authors:Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
Deposit date:2022-06-17
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8A65
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BU of 8a65 by Molmil
Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3
Descriptor: (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ...
Authors:Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
Deposit date:2022-06-16
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8A68
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BU of 8a68 by Molmil
Small molecule stabilizer (compound 5) for C-RAF(pS259) and 14-3-3
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, RAF proto-oncogene serine/threonine-protein kinase, ...
Authors:Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
Deposit date:2022-06-16
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8A6F
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BU of 8a6f by Molmil
Small molecule stabilizer (compound 8) for C-RAF and 14-3-3
Descriptor: 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
Deposit date:2022-06-17
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
3O4X
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BU of 3o4x by Molmil
Crystal structure of complex between amino and carboxy terminal fragments of mDia1
Descriptor: Protein diaphanous homolog 1
Authors:Eck, M.J, Nezami, A, Toms, A.V.
Deposit date:2010-07-27
Release date:2010-10-13
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a complex between amino and carboxy terminal fragments of mDia1: insights into autoinhibition of diaphanous-related formins.
Plos One, 5, 2010
6EWZ
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BU of 6ewz by Molmil
Crystal structure of RelP (SAS2) from Staphylococcus aureus bound to AMPCPP and GTP in the pre-catalytic state
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, FE (III) ION, GTP pyrophosphokinase, ...
Authors:Manav, M.C, Brodersen, D.E.
Deposit date:2017-11-07
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural basis for (p)ppGpp synthesis by theStaphylococcus aureussmall alarmone synthetase RelP.
J. Biol. Chem., 293, 2018
1YE2
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BU of 1ye2 by Molmil
T-To-T(High) quaternary transitions in human hemoglobin: betaY35F oxy (2MM IHP, 20% PEG) (1 test set)
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ...
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2004-12-27
Release date:2005-01-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1YGD
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BU of 1ygd by Molmil
T-To-T(High) quaternary transitions in human hemoglobin: betaW37E alpha zinc beta oxy (10 TEST SETS)
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ...
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2005-01-04
Release date:2005-01-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
4L5I
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BU of 4l5i by Molmil
Crystal structures of the LsrR proteins complexed with phospho-AI-2 and its two different analogs reveal distinct mechanisms for ligand recognition
Descriptor: Transcriptional regulator LsrR
Authors:Ryu, K.S, Ha, J.H, Eo, Y.
Deposit date:2013-06-11
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Crystal Structures of the LsrR Proteins Complexed with Phospho-AI-2 and Two Signal-Interrupting Analogues Reveal Distinct Mechanisms for Ligand Recognition.
J.Am.Chem.Soc., 135, 2013
4WO0
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BU of 4wo0 by Molmil
Crystal structure of transthyretin in complex with apigenin
Descriptor: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Transthyretin
Authors:Zanotti, G, Cianci, M, Folli, C, Berni, R.
Deposit date:2014-10-15
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.339 Å)
Cite:Structural evidence for asymmetric ligand binding to transthyretin.
Acta Crystallogr.,Sect.D, 71, 2015
6V0Z
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BU of 6v0z by Molmil
Structure of ALDH7A1 mutant R441C complexed with NAD
Descriptor: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Korasick, D.A, Tanner, J.J.
Deposit date:2019-11-19
Release date:2020-11-25
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Biochemical, structural, and computational analyses of two new clinically identified missense mutations of ALDH7A1.
Chem.Biol.Interact., 2024
3OD2
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BU of 3od2 by Molmil
E. coli NikR soaked with excess nickel ions
Descriptor: 3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, NICKEL (II) ION, Nickel-responsive regulatory protein
Authors:Phillips, C.M, Schreiter, E.R, Drennan, C.L.
Deposit date:2010-08-10
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of low-affinity nickel binding to the nickel-responsive transcription factor NikR from Escherichia coli.
Biochemistry, 49, 2010
5IS0
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BU of 5is0 by Molmil
Structure of TRPV1 in complex with capsazepine, determined in lipid nanodisc
Descriptor: Transient receptor potential cation channel subfamily V member 1, capsazepine
Authors:Gao, Y, Cao, E, Julius, D, Cheng, Y.
Deposit date:2016-03-15
Release date:2016-05-25
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action.
Nature, 534, 2016
3JAV
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BU of 3jav by Molmil
Structure of full-length IP3R1 channel in the apo-state determined by single particle cryo-EM
Descriptor: Inositol 1,4,5-trisphosphate receptor type 1
Authors:Fan, G, Baker, M.L, Wang, Z, Baker, M.R, Sinyagovskiy, P.A, Chiu, W, Ludtke, S.J, Serysheva, I.I.
Deposit date:2015-06-30
Release date:2015-10-07
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Gating machinery of InsP3R channels revealed by electron cryomicroscopy.
Nature, 527, 2015
5JA5
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BU of 5ja5 by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L111A and L130A mutant in complex with rice D53 repressor EAR peptide motif
Descriptor: Protein TPR1, The rice D53 peptide (a.a. 794-808), ZINC ION
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2016-04-12
Release date:2017-07-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
1Y7Z
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BU of 1y7z by Molmil
T-To-T(High) quaternary transitions in human hemoglobin: betaN108A deoxy low-salt (1 test set)
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2004-12-10
Release date:2004-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1YE0
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BU of 1ye0 by Molmil
T-To-T(High) quaternary transitions in human hemoglobin: betaV33A oxy (2MM IHP, 20% PEG) (1 test set)
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ...
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2004-12-27
Release date:2005-01-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
6JH7
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BU of 6jh7 by Molmil
Crystal structure of AerF from Microcystis aeruginosa
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Short chain dehydrogenase family protein, ...
Authors:Qiu, X.
Deposit date:2019-02-17
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural and functional investigation of AerF, a NADPH-dependent alkenal double bond reductase participating in the biosynthesis of Choi moiety of aeruginosin
J.Struct.Biol., 2019

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