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5MC4
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BU of 5mc4 by Molmil
Crystal Structure of Gly448Arg mutant of Human Prolidase with Mn ions and GlyPro ligand
Descriptor: GLYCEROL, GLYCINE, HYDROXIDE ION, ...
Authors:Wilk, P, Mueller, U, Dobbek, H, Weiss, M.S.
Deposit date:2016-11-09
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
8R0E
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BU of 8r0e by Molmil
p97 (VCP) mutant - F266A
Descriptor: Transitional endoplasmic reticulum ATPase
Authors:Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
Deposit date:2023-10-31
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:p97 (VCP) mutant - F266A
To Be Published
7L9I
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BU of 7l9i by Molmil
Crystal structure of human ARH3-D314A bound to magnesium and ADP-ribose
Descriptor: ADP-ribose glycohydrolase ARH3, MAGNESIUM ION, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Pourfarjam, Y, Kurinov, I, Moss, J, Kim, I.K.
Deposit date:2021-01-04
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and biochemical analysis of human ADP-ribosyl-acceptor hydrolase 3 reveals the basis of metal selectivity and different roles for the two magnesium ions.
J.Biol.Chem., 296, 2021
3HU1
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BU of 3hu1 by Molmil
Structure of p97 N-D1 R95G mutant in complex with ATPgS
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Tang, W.-K.
Deposit date:2009-06-12
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:A novel ATP-dependent conformation in p97 N-D1 fragment revealed by crystal structures of disease-related mutants.
Embo J., 29, 2010
7BMI
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BU of 7bmi by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser)
Descriptor: 3-fluoranylpyridine-2,4-dicarboxylic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2021-01-20
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases
J Fluor Chem, 247, 2021
2P8R
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BU of 2p8r by Molmil
Crystal structure of the C-terminal domain of C. elegans pre-mRNA splicing factor Prp8 carrying R2303K mutant
Descriptor: Pre-mRNA-splicing factor Prp8
Authors:Zhang, L, Shen, J, Guarnieri, M.T, Heroux, A, Yang, K, Zhao, R.
Deposit date:2007-03-22
Release date:2007-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the C-terminal domain of splicing factor Prp8 carrying retinitis pigmentosa mutants
Protein Sci., 16, 2007
7L9F
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BU of 7l9f by Molmil
Crystal structure of human ARH3 bound to calcium and ADP-ribose
Descriptor: CALCIUM ION, Poly(ADP-ribose) glycohydrolase ARH3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Pourfarjam, Y, Kurinov, I, Moss, J, Kim, I.K.
Deposit date:2021-01-04
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and biochemical analysis of human ADP-ribosyl-acceptor hydrolase 3 reveals the basis of metal selectivity and different roles for the two magnesium ions.
J.Biol.Chem., 296, 2021
8QZ4
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BU of 8qz4 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb76)
Descriptor: BARIUM ION, CHOLESTEROL HEMISUCCINATE, Nanobody 76, ...
Authors:Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
2GCV
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BU of 2gcv by Molmil
Post-cleavage state of the Thermoanaerobacter tengcongensis glmS ribozyme
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, glmS ribozyme RNA, ...
Authors:Klein, D.J, Ferre-D'Amare, A.R.
Deposit date:2006-03-14
Release date:2006-09-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of glmS ribozyme activation by glucosamine-6-phosphate
Science, 313, 2006
7BMJ
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BU of 7bmj by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 5-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser)
Descriptor: 5-fluoranylpyridine-2,4-dicarboxylic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2021-01-20
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases
J Fluor Chem, 247, 2021
5MEA
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BU of 5mea by Molmil
Crystal structure of yeast Cdt1 (N terminal and middle domain), form 2.
Descriptor: Cell division cycle protein CDT1, GLYCEROL, SULFATE ION
Authors:Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
Deposit date:2016-11-14
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
7BDK
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BU of 7bdk by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8, ...
Authors:Vester, K, Santos, K.F, Absmeier, E, Wahl, M.C.
Deposit date:2020-12-21
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Long-range allostery mediates cooperative adenine nucleotide binding by the Ski2-like RNA helicase Brr2.
J.Biol.Chem., 297, 2021
7BDL
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BU of 7bdl by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and mant-ADP
Descriptor: MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8, U5 small nuclear ribonucleoprotein 200 kDa helicase, ...
Authors:Vester, K, Santos, K.F, Absmeier, E, Wahl, M.C.
Deposit date:2020-12-21
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Long-range allostery mediates cooperative adenine nucleotide binding by the Ski2-like RNA helicase Brr2.
J.Biol.Chem., 297, 2021
7BDJ
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BU of 7bdj by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and mant-ATPgammaS
Descriptor: MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8, U5 small nuclear ribonucleoprotein 200 kDa helicase, ...
Authors:Vester, K, Santos, K.F, Absmeier, E, Wahl, M.C.
Deposit date:2020-12-21
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Long-range allostery mediates cooperative adenine nucleotide binding by the Ski2-like RNA helicase Brr2.
J.Biol.Chem., 297, 2021
3ASQ
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BU of 3asq by Molmil
Crystal structure of P domain from Norovirus Funabashi258 stain in the complex with H-antigen
Descriptor: Capsid protein, P-NITROPHENOL, SODIUM ION, ...
Authors:Kubota, T, Kumagai, A, Itoh, H, Furukawa, S, Narimatsu, H, Wakita, T, Ishii, K, Takeda, N, Someya, Y, Shirato, H.
Deposit date:2010-12-17
Release date:2012-01-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the recognition of Lewis antigens by genogroup I norovirus
J.Virol., 86, 2012
7RI8
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BU of 7ri8 by Molmil
The structure of BAM in MSP2N2 nanodiscs
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Wu, R.R, Noinaj, N.
Deposit date:2021-07-19
Release date:2021-12-22
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
7G00
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BU of 7g00 by Molmil
Crystal Structure of human FABP1 in complex with 2-[[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid
Descriptor: 2-{[(3P)-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, Fatty acid-binding protein, liver, ...
Authors:Ehler, A, Benz, J, Obst, U, Neidhart, W, Rudolph, M.G.
Deposit date:2023-04-27
Release date:2023-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of a human FABP1 complex
To be published
7BEA
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BU of 7bea by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor
Descriptor: 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine, Programmed cell death 1 ligand 1
Authors:Magiera-Mularz, K, Butera, R, Wazynska, M, Holak, T, Domling, A.
Deposit date:2020-12-22
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Design, Synthesis, and Biological Evaluation of Imidazopyridines as PD-1/PD-L1 Antagonists.
Acs Med.Chem.Lett., 12, 2021
3HXB
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BU of 3hxb by Molmil
Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 6)
Descriptor: Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine, ...
Authors:Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W.
Deposit date:2009-06-20
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors
J.Med.Chem., 52, 2009
7LJF
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BU of 7ljf by Molmil
Cryo-EM structure of the Mpa hexamer in the presence of ATP and the Pup-FabD substrate
Descriptor: AAA ATPase forming ring-shaped complexes, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Yin, Y, Li, H.
Deposit date:2021-01-29
Release date:2021-05-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structure of the Mpa hexamer in the presence of ATP and the Pup-FabD substrate
J.Biol.Chem., 2021
8QRH
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BU of 8qrh by Molmil
Inactivated tick-borne encephalitis virus (TBEV) vaccine strain Sofjin-Chumakov
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, Small envelope protein M
Authors:Moiseenko, A.V, Zhang, Y, Vorovitch, M, Ivanova, A, Liu, Z, Osolodkin, D.I, Egorov, A, Ishmukhametov, A, Sokolova, O.S.
Deposit date:2023-10-07
Release date:2024-06-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The structure of inactivated mature tick-borne encephalitis virus at 3.0 angstrom resolution.
Emerg Microbes Infect, 13, 2024
7BDI
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BU of 7bdi by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and ATPgammaS
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Pre-mRNA-processing-splicing factor 8, ...
Authors:Vester, K, Santos, K.F, Absmeier, E, Wahl, M.C.
Deposit date:2020-12-21
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Long-range allostery mediates cooperative adenine nucleotide binding by the Ski2-like RNA helicase Brr2.
J.Biol.Chem., 297, 2021
7REX
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BU of 7rex by Molmil
PreQ1-1 (type-1) riboswitch in complex with tandem stacked metabolites
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, MAGNESIUM ION, RNA (34-MER)
Authors:Jenkins, J.L, Schroeder, G.M, Wedekind, J.E.
Deposit date:2021-07-13
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A small RNA that cooperatively senses two stacked metabolites in one pocket for gene control
Nat Commun, 13, 2022
2H65
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BU of 2h65 by Molmil
Crystal strusture of caspase-3 with inhibitor Ac-VDVAD-Cho
Descriptor: Ac-VDVAD-Cho, caspase-3, p12 subunit, ...
Authors:Fang, B, Boross, P.I, Tozser, J, Weber, I.T.
Deposit date:2006-05-30
Release date:2006-09-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition
J.Mol.Biol., 360, 2006
7T33
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BU of 7t33 by Molmil
The structure of Haemophilus influenzae Rd KW20 nitroreductase complexed with nicotinic acid
Descriptor: FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, Putative NAD(P)H nitroreductase, ...
Authors:Wanniarachchi, T.N, Bruner, S.D.
Deposit date:2021-12-06
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Biochemical and structural characterization of Haemophilus influenzae nitroreductase in metabolizing nitroimidazoles.
Rsc Chem Biol, 3, 2022

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