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7TMB
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BU of 7tmb by Molmil
Crystal Structure of N-ethylmaleimide reductase from Klebsiella pneumoniae
Descriptor: CITRATE ANION, FLAVIN MONONUCLEOTIDE, N-ethylmaleimide reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-01-19
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of N-ethylmaleimide reductase from Klebsiella pneumoniae
To be published
6PUI
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BU of 6pui by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U
Descriptor: 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
7QDN
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BU of 7qdn by Molmil
Structure of human liver pyruvate kinase from which the B domain has been deleted
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALIC ACID, ...
Authors:Lulla, A, Hyvonen, M.
Deposit date:2021-11-27
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
3LK6
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BU of 3lk6 by Molmil
Beta-N-hexosaminidase N318D mutant (YBBD_N318D) from bacillus subtilis
Descriptor: DI(HYDROXYETHYL)ETHER, Lipoprotein ybbD, SODIUM ION
Authors:Krug, M.
Deposit date:2010-01-27
Release date:2011-05-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Beta-N-hexosaminidase N318D mutant (YBBD_N318D) from bacillus subtilis
To be Published
6YD3
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BU of 6yd3 by Molmil
X-ray structure of furin in complex with the canavanine derived inhibitor 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Arg-Amba
Descriptor: 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Arg-Amba, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O.
Deposit date:2020-03-20
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin.
Acs Med.Chem.Lett., 12, 2021
7TVF
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BU of 7tvf by Molmil
Crystal structure of the SHOC2-MRAS-PP1CA (SMP) complex to a resolution of 2.17 Angstrom
Descriptor: CHLORIDE ION, GLYCEROL, Leucine-rich repeat protein SHOC-2, ...
Authors:Bonsor, D.A, Simanshu, D.K.
Deposit date:2022-02-04
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of the SHOC2-MRAS-PP1C complex provides insights into RAF activation and Noonan syndrome.
Nat.Struct.Mol.Biol., 29, 2022
4Y8F
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BU of 4y8f by Molmil
Crystal structure of Triosephosphate Isomerase from Clostridium perfringens
Descriptor: ACETATE ION, SODIUM ION, Triosephosphate Isomerase
Authors:Romero-Romero, S, Rodriguez-Romero, A, Fernandez-Velasco, D.A.
Deposit date:2015-02-16
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins.
Phys Chem Chem Phys, 17, 2015
8FF9
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BU of 8ff9 by Molmil
Crystal structure of Apo Dps protein (PA0962) from Pseudomonas aeruginosa (orthorhombic form)
Descriptor: CHLORIDE ION, Probable dna-binding stress protein, SODIUM ION, ...
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Rivera, M.
Deposit date:2022-12-08
Release date:2023-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pseudomonas aeruginosa Dps (PA0962) Functions in H 2 O 2 Mediated Oxidative Stress Defense and Exhibits In Vitro DNA Cleaving Activity.
Int J Mol Sci, 24, 2023
6Q9S
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BU of 6q9s by Molmil
HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 14 AT 2.4A: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid, Protein Mdm4, ...
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
8FWS
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BU of 8fws by Molmil
Structure of the ligand-binding and transmembrane domains of kainate receptor GluK2 in complex with the positive allosteric modulator BPAM344
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-01-23
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Positive and negative allosteric modulation of GluK2 kainate receptors by BPAM344 and antiepileptic perampanel.
Cell Rep, 42, 2023
8FWQ
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BU of 8fwq by Molmil
Structure of kainate receptor GluK2 in complex with the positive allosteric modulator BPAM344
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-01-23
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Positive and negative allosteric modulation of GluK2 kainate receptors by BPAM344 and antiepileptic perampanel.
Cell Rep, 42, 2023
8FWW
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BU of 8fww by Molmil
Structure of the ligand-binding and transmembrane domains of kainate receptor GluK2 in complex with the positive allosteric modulator BPAM344 and noncompetitive inhibitor perampanel
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-01-23
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Positive and negative allosteric modulation of GluK2 kainate receptors by BPAM344 and antiepileptic perampanel.
Cell Rep, 42, 2023
8FWU
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BU of 8fwu by Molmil
Structure of the ligand-binding and transmembrane domains of kainate receptor GluK2 in complex with the positive allosteric modulator BPAM344 and competitive antagonist DNQX
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yen, L.Y, Gangwar, S.P, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-01-23
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Positive and negative allosteric modulation of GluK2 kainate receptors by BPAM344 and antiepileptic perampanel.
Cell Rep, 42, 2023
7U64
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BU of 7u64 by Molmil
Crystal Structure of Anti-Fentanyl Antibody HY6-F9.6 Fab Complexed with Fentanyl
Descriptor: ACETATE ION, HY6-F9.6 Fab heavy chain, HY6-F9.6 Fab light chain, ...
Authors:Rodarte, J.V, Pancera, M.P.
Deposit date:2022-03-03
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding.
Structure, 31, 2023
6Z55
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BU of 6z55 by Molmil
Crystal structure of CLK3 in complex with macrocycle ODS2004070
Descriptor: 1,2-ETHANEDIOL, 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Dual specificity protein kinase CLK3, ...
Authors:Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-05-26
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of CLK3 in complex with macrocycle ODS2004070
To Be Published
3LP9
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BU of 3lp9 by Molmil
Crystal structure of LS24, A Seed Albumin from Lathyrus sativus
Descriptor: CALCIUM ION, CHLORIDE ION, LS-24, ...
Authors:Gaur, V, Qureshi, I.A, Singh, A, Chanana, V, Salunke, D.M.
Deposit date:2010-02-05
Release date:2010-02-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and functional insights of hemopexin fold protein from grass pea
Plant Physiol., 152, 2010
3LWL
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BU of 3lwl by Molmil
Structure of Klenow fragment of Taq polymerase in complex with an abasic site
Descriptor: 2',3'-dideoxyadenosine triphosphate, ACETATE ION, DNA (5'-D(*AP*AP*AP*(3DR)P*TP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ...
Authors:Marx, A, Diederichs, K, Obeid, S.
Deposit date:2010-02-24
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Replication through an abasic DNA lesion: structural basis for adenine selectivity
Embo J., 29, 2010
7Q9X
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BU of 7q9x by Molmil
Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct
Descriptor: (3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Isupov, M.N, Mitchell, D, Sayer, C, Littlechild, J.A.
Deposit date:2021-11-15
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Aminotransferase from Chromobacterium violaceum in complex with PLP-pyruvate adduct.
To Be Published
8FTY
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BU of 8fty by Molmil
Crystal structure of the carotenoid isomerooxygenase, NinaB
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, CHLORIDE ION, ...
Authors:Kiser, P.D, Solano, Y.J.
Deposit date:2023-01-14
Release date:2024-01-17
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Carotenoid cleavage enzymes evolved convergently to generate the visual chromophore.
Nat.Chem.Biol., 20, 2024
8FRU
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BU of 8fru by Molmil
60S subunit of the Giardia lamblia 80S ribosome
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Eiler, D.R, Wimberly, B.T, Bilodeau, D.Y, Rissland, O.S, Kieft, J.S.
Deposit date:2023-01-08
Release date:2024-01-31
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:The Giardia lamblia ribosome structure reveals divergence in several biological pathways and the mode of emetine function.
Structure, 32, 2024
7QON
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BU of 7qon by Molmil
Monoclinic triose phosphate isomerase from Fasciola hepatica.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Kontellas, G, Isupov, M.N, Littlechild, J.A.
Deposit date:2021-12-24
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Monoclinic triose phosphate isomerase from Fasciola hepatica.
To Be Published
6QVZ
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BU of 6qvz by Molmil
The Transcriptional Regulator PrfA-L140H mutant from Listeria Monocytogenes
Descriptor: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION
Authors:Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E.
Deposit date:2019-03-05
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
7QVW
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BU of 7qvw by Molmil
R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
Descriptor: CALCIUM ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E.
Deposit date:2022-01-23
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
To Be Published
7QWI
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BU of 7qwi by Molmil
Vanadate complex of the vanadium-dependent bromoperoxidase from Corallina pilulifera
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ...
Authors:Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E.
Deposit date:2022-01-25
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
To Be Published
7QW3
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BU of 7qw3 by Molmil
R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera in complex with Br ion.
Descriptor: BROMIDE ION, CALCIUM ION, GLYCEROL, ...
Authors:Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E.
Deposit date:2022-01-24
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera
To Be Published

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PDB entries from 2024-08-07

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