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5UO3
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BU of 5uo3 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile
Descriptor: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-01-31
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
2PJQ
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BU of 2pjq by Molmil
Crystal structure of Q88U62_LACPL from Lactobacillus plantarum. Northeast Structural Genomics target LpR71
Descriptor: Uncharacterized protein lp_2664
Authors:Benach, J, Su, M, Seetharaman, J, Forouhar, F, Chen, C.X, Cunningham, K, Ma, L.-C, Owens, L, Baran, M, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-04-16
Release date:2007-05-01
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Q88U62_LACPL from Lactobacillus plantarum.
To be Published
6CRH
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BU of 6crh by Molmil
Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable GTP
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*CP*GP*AP*CP*(CGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
Authors:Koag, M.-C, Lee, S.
Deposit date:2018-03-17
Release date:2019-03-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.327 Å)
Cite:Promutagenicity of 8-Chloroguanine, A Major Inflammation-Induced Halogenated DNA Lesion.
Molecules, 24, 2019
6CRS
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BU of 6crs by Molmil
CryoEM structure of human enterovirus D68 A-particle (pH 7.2 and 4 degrees Celsius)
Descriptor: viral protein 1, viral protein 2, viral protein 3
Authors:Liu, Y, Rossmann, M.G.
Deposit date:2018-03-19
Release date:2018-12-19
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5VL6
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BU of 5vl6 by Molmil
Peptide 38138 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoite (Pf-CelTOS)
Descriptor: Peptide 38138
Authors:Bermudez, A, Patarroyo, M.E.
Deposit date:2017-04-25
Release date:2018-09-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Peptide 38138 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoite (Pf-CelTOS)
To Be Published
4Z0D
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BU of 4z0d by Molmil
Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038Trp] peptide
Descriptor: Apical membrane antigen 1, Rhoptry neck protein 2
Authors:Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J.
Deposit date:2015-03-26
Release date:2016-08-03
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction.
J.Mol.Biol., 428, 2016
2Q0Z
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BU of 2q0z by Molmil
Crystal structure of Q9P172/Sec63 from Homo sapiens. Northeast Structural Genomics Target HR1979.
Descriptor: Protein PRO2281
Authors:Benach, J, Neely, H, Abashidze, M, Edstrom, W.C, Seetharaman, J, Zhao, L, Fang, Y, Cunningham, K, Owens, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-05-23
Release date:2007-06-05
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Q9P172/Sec63 from Homo sapiens.
To be Published
6CUT
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BU of 6cut by Molmil
Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3S)-isopropylserine bound as the external aldimine
Descriptor: (2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name), SODIUM ION, Tryptophan synthase beta chain 1
Authors:Boville, C.E, Scheele, R.A, Buller, A.R, Arnold, F.H.
Deposit date:2018-03-26
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
4ZK7
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BU of 4zk7 by Molmil
Crystal structure of rescued two-component self-assembling tetrahedral cage T33-31
Descriptor: Chorismate mutase, Divalent-cation tolerance protein CutA
Authors:Liu, Y, Cascio, D, Sawaya, M.R, Bale, J, Collazo, M.J, Park, R, King, N, Baker, D, Yeates, T.
Deposit date:2015-04-30
Release date:2015-07-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of a designed tetrahedral protein assembly variant engineered to have improved soluble expression.
Protein Sci., 24, 2015
4Z5W
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BU of 4z5w by Molmil
The plant peptide hormone receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, ...
Authors:Chai, J, Wang, J, Han, Z.
Deposit date:2015-04-03
Release date:2016-03-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
4Z6D
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BU of 4z6d by Molmil
Structure of human DNA polymerase beta 279NA mutant complexed with G in the template base paired with incoming non-hydrolyzable TTP
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
Authors:Koag, M.-C, Lee, S.
Deposit date:2015-04-04
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Insights into the effect of minor groove interactions and metal cofactors on mutagenic replication by human DNA polymerase beta.
Biochem. J., 475, 2018
4Z6L
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BU of 4z6l by Molmil
Structure of H200E variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum at 1.65 Ang resolution
Descriptor: CALCIUM ION, CHLORIDE ION, FE (II) ION, ...
Authors:Kovaleva, E.G, Lipscomb, J.D.
Deposit date:2015-04-06
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
6D0N
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BU of 6d0n by Molmil
Crystal structure of a CLC-type fluoride/proton antiporter, V319G mutant
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CLC-type fluoride/proton antiporter, DECYL-BETA-D-MALTOPYRANOSIDE, ...
Authors:Last, N.B, Stockbridge, R.B, Wilson, A.E, Shane, T, Kolmakova-Partensky, L, Koide, A, Koide, S, Miller, C.
Deposit date:2018-04-10
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:A CLC-type F-/H+antiporter in ion-swapped conformations.
Nat. Struct. Mol. Biol., 25, 2018
4Z6Z
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BU of 4z6z by Molmil
Structure of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-sulfonyl catechol at 1.52 Ang resolution
Descriptor: 3,4-dihydroxybenzenesulfonic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CALCIUM ION, ...
Authors:Kovaleva, E.G, Lipscomb, J.D.
Deposit date:2015-04-06
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
2PVF
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BU of 2pvf by Molmil
Crystal Structure of Tyrosine Phosphorylated Activated FGF Receptor 2 (FGFR2) Kinase Domain in Complex with ATP Analog and Substrate Peptide
Descriptor: Fibroblast growth factor receptor 2, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Chen, H, Mohammadi, M.
Deposit date:2007-05-09
Release date:2007-09-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A molecular brake in the kinase hinge region regulates the activity of receptor tyrosine kinases.
Mol.Cell, 27, 2007
2PVS
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BU of 2pvs by Molmil
Structure of human pancreatic lipase related protein 2 mutant N336Q
Descriptor: CALCIUM ION, Pancreatic lipase-related protein 2, SULFATE ION
Authors:Spinelli, S, Eydoux, C, Carriere, F, Cambillau, C.
Deposit date:2007-05-10
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of human pancreatic lipase-related protein 2 with the lid in an open conformation.
Biochemistry, 47, 2008
6D1S
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BU of 6d1s by Molmil
Crystal structure of an apo chimeric human alpha1GABAA receptor
Descriptor: chimeric alpha1GABAA receptor
Authors:Chen, Q, Arjunan, P, Cohen, A.E, Xu, Y, Tang, P.
Deposit date:2018-04-12
Release date:2018-08-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of neurosteroid anesthetic action on GABAAreceptors.
Nat Commun, 9, 2018
6CJ7
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BU of 6cj7 by Molmil
Crystal structure of Manduca sexta Serine protease inhibitor (Serpin)-12
Descriptor: Serpin-12
Authors:Gulati, M, Hu, Y, Peng, S, Pathak, P.K, Wang, Y, Deng, J, Jiang, H.
Deposit date:2018-02-26
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Manduca sexta serpin-12 controls the prophenoloxidase activation system in larval hemolymph.
Insect Biochem. Mol. Biol., 99, 2018
4Z9V
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BU of 4z9v by Molmil
TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL
Descriptor: BICARBONATE ION, Bcl-2-like protein 1,APOPTOSIS REGULATOR BCL-XL, SODIUM ION, ...
Authors:Cura, V, Agez, M, Thebault, S, Cavarelli, J.
Deposit date:2015-04-12
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL.
Sci Rep, 6, 2016
4ZQK
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BU of 4zqk by Molmil
Structure of the complex of human programmed death-1 (PD-1) and its ligand PD-L1.
Descriptor: Programmed cell death 1 ligand 1, Programmed cell death protein 1, SODIUM ION
Authors:Zak, K.M, Dubin, G, Holak, T.A.
Deposit date:2015-05-10
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1.
Structure, 23, 2015
5VRN
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BU of 5vrn by Molmil
CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Abendroth, J, Edwards, T.E, Lorimer, D.
Deposit date:2017-05-11
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.
Life Sci Alliance, 1, 2018
6D1O
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BU of 6d1o by Molmil
FT_5 dioxygenase apoenzyme
Descriptor: (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase
Authors:Rydel, T.J, Halls, C.E.
Deposit date:2018-04-12
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
4YYT
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BU of 4yyt by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5).
Descriptor: 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-24
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
5VD3
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BU of 5vd3 by Molmil
CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN (de-phosphorylated) IN COMPLEX WITH SARACATINIB
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ...
Authors:Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-04-01
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
4YZP
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BU of 4yzp by Molmil
Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis
Descriptor: Cellulose hydrolase
Authors:Liberato, M.V, Popov, A, Polikarpov, I.
Deposit date:2015-03-25
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism.
Sci Rep, 6, 2016

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