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PDB: 17892 results

8DID
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BU of 8did by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
6XIZ
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BU of 6xiz by Molmil
Crystal structure of multi-copper oxidase from Pediococcus acidilactici
Descriptor: BENZAMIDINE, CHLORIDE ION, COPPER (II) ION, ...
Authors:Pardo, I, Soares, A.S, Collins, R, Partowmah, S.H, Coler, E.A.
Deposit date:2020-06-22
Release date:2021-03-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species.
Microb Biotechnol, 14, 2021
8A2P
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BU of 8a2p by Molmil
Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography
Descriptor: 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ...
Authors:Moraes, I, Kwan, T.O.C, Axford, D.
Deposit date:2022-06-06
Release date:2023-08-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
8A2O
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BU of 8a2o by Molmil
Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ...
Authors:Moraes, I, Kwan, T.O.C, Axford, D.
Deposit date:2022-06-06
Release date:2023-08-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
7R6X
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BU of 7r6x by Molmil
SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2E12 Fab, S309 Fab, and S304 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Monoclonal antibody S2E12 Fab heavy chain, ...
Authors:Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
Deposit date:2021-06-23
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
6OO2
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BU of 6oo2 by Molmil
Vps4 with Cyclic Peptide Bound in the Central Pore
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Designed Cyclic Peptide, ...
Authors:Han, H, Fulcher, J.M, Dandey, V.P, Sundquist, W.I, Kay, M.S, Shen, P, Hill, C.P.
Deposit date:2019-04-22
Release date:2019-08-21
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structure of Vps4 with circular peptides and implications for translocation of two polypeptide chains by AAA+ ATPases.
Elife, 8, 2019
6OC3
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BU of 6oc3 by Molmil
Crystal structure of FluA-20 Fab in complex with the head domain of H1 (A/Solomon Islands/3/2006)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of FluA-20 Fab, Hemagglutinin, ...
Authors:Wilson, I.A, Lang, S.
Deposit date:2019-03-21
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A Site of Vulnerability on the Influenza Virus Hemagglutinin Head Domain Trimer Interface.
Cell, 177, 2019
2LIU
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BU of 2liu by Molmil
NMR structure of holo-ACPI domain from CurA module from Lyngbya majuscula
Descriptor: CurA
Authors:Busche, A.E, Gottstein, D, Hein, C, Ripin, N, Pader, I, Tufar, P, Eisman, E.B, Gu, L, Walsh, C.T, Loehr, F, Sherman, D.H, Guntert, P, Dotsch, V.
Deposit date:2011-09-01
Release date:2011-12-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Characterization of Molecular Interactions between ACP and Halogenase Domains in the Curacin A Polyketide Synthase.
Acs Chem.Biol., 7, 2012
5MU7
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BU of 5mu7 by Molmil
Crystal Structure of the beta/delta-COPI Core Complex
Descriptor: Coatomer subunit beta, Coatomer subunit delta-like protein
Authors:Kopp, J, Aderhold, P, Wieland, F, Sinning, I.
Deposit date:2017-01-12
Release date:2017-06-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:9 angstrom structure of the COPI coat reveals that the Arf1 GTPase occupies two contrasting molecular environments.
Elife, 6, 2017
6I4K
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BU of 6i4k by Molmil
Crystal Structure of Plasmodium falciparum actin I (G115A mutant) in the Ca-ATP state
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin-1, ...
Authors:Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
Deposit date:2018-11-09
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
6I4J
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BU of 6i4j by Molmil
Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Mg-ADP state
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin-1, ...
Authors:Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
Deposit date:2018-11-09
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
6I4L
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BU of 6i4l by Molmil
Crystal Structure of Plasmodium falciparum actin I (G115A mutant) in the Mg-K-ATP/ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin-1, ...
Authors:Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
Deposit date:2018-11-09
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
6I4F
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BU of 6i4f by Molmil
Crystal Structure of Plasmodium falciparum actin I (A272W mutant) in the Mg-K-ATP/ADP state
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
Deposit date:2018-11-09
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
5MQP
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BU of 5mqp by Molmil
Glycoside hydrolase BT_1002
Descriptor: CALCIUM ION, Glycoside hydrolase BT_1002
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2016-12-20
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The most complex carbohydrate known is degraded in the human gut by single organisms and not bacterial consortia
To Be Published
6I4D
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BU of 6i4d by Molmil
Crystal Structure of Plasmodium falciparum actin I in the Mg-K-ATP/ADP state
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
Deposit date:2018-11-09
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
8ADQ
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BU of 8adq by Molmil
Crystal structure of holo-SwHPA-Mg (hydroxy ketone aldolase) from Sphingomonas wittichii RW1 in complex with hydroxypyruvate and D-Glyceraldehyde
Descriptor: 3-HYDROXYPYRUVIC ACID, BROMIDE ION, D-Glyceraldehyde, ...
Authors:Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2022-07-11
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
4R43
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BU of 4r43 by Molmil
Crystal Structure Analysis of MTB PEPCK
Descriptor: DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Brynda, J, Dostal, J, Pichova, I, Snasel, J, Fanfrlik, J, Machova, I.
Deposit date:2014-08-19
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Studies of Phosphoenolpyruvate Carboxykinase from Mycobacterium tuberculosis.
Plos One, 10, 2015
4RDS
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BU of 4rds by Molmil
Lysozyme crystallized with red food coloring dye
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Irimpan, E.M, Mathews, I.I.
Deposit date:2014-09-19
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Lysozyme crystallized with red food coloring dye.
To be Published
7RDH
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BU of 7rdh by Molmil
Crystal structure of the de novo designed binding protein H3mb in complex with the 1968 influenza A virus hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, De novo designed protein H3mb, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2021-07-09
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
6ON1
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BU of 6on1 by Molmil
A resting state structure of L-DOPA dioxygenase from Streptomyces sclerotialus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, L-DOPA dioxygenase
Authors:Wang, Y, Shin, I, Fu, Y, Colabroy, K, Liu, A.
Deposit date:2019-04-19
Release date:2019-06-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.982 Å)
Cite:Crystal Structures of L-DOPA Dioxygenase fromStreptomyces sclerotialus.
Biochemistry, 58, 2019
6Y32
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BU of 6y32 by Molmil
Structure of the GTPase heterodimer of human SRP54 and SRalpha
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, SULFATE ION, ...
Authors:Juaire, K.D, Becker, M.M.M, Wild, K, Sinning, I.
Deposit date:2020-02-17
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia.
Structure, 29, 2021
8AMO
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BU of 8amo by Molmil
Crystal structure of M. tuberculosis CYP143
Descriptor: CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Bukhdruker, S, Varaksa, T, Grudo, A, Marin, E, Kapranov, I, Shevtsov, M, Gilep, A, Strushkevich, N, Borshchevskiy, V.
Deposit date:2022-08-03
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
8AMP
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BU of 8amp by Molmil
Crystal structure of M.tuberculosis ferredoxin Fdx
Descriptor: FE (III) ION, FE3-S4 CLUSTER, Possible ferredoxin
Authors:Bukhdruker, S, Kavaleuski, A, Marin, E, Kapranov, I, Mishin, A, Gilep, A, Strushkevich, N, Borshchevskiy, V.
Deposit date:2022-08-03
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
5OPC
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BU of 5opc by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc and Vadadustat
Descriptor: GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
Authors:Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X, Zhang, D.
Deposit date:2017-08-09
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
1LEG
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BU of 1leg by Molmil
Crystal Structure of H-2Kb bound to the dEV8 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-2-MICROGLOBULIN, ...
Authors:Luz, J.G, Huang, M, Garcia, K.C, Rudolph, M.G, Apostolopoulos, V, Teyton, L, Wilson, I.A.
Deposit date:2002-04-09
Release date:2002-06-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural comparison of allogeneic and syngeneic T cell receptor-peptide-major histocompatibility complex complexes: a buried alloreactive mutation subtly alters peptide presentation substantially increasing V(beta) Interactions.
J.Exp.Med., 195, 2002

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PDB entries from 2024-09-11

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