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6A7I
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BU of 6a7i by Molmil
CYP154C4 from Streptomyces sp. W2061
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, C.W, Lee, J.H.
Deposit date:2018-07-03
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Characterization of two steroid hydroxylases from different Streptomyces spp. and their ligand-bound and -unbound crystal structures.
Febs J., 286, 2019
7R1P
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BU of 7r1p by Molmil
X-ray structure of the adduct formed upon reaction of the gold(I) N-heterocyclic carbene complex Au1 with RNase A
Descriptor: GOLD ION, Ribonuclease pancreatic, SULFATE ION
Authors:Merlino, A, Ferraro, G.
Deposit date:2022-02-03
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Halo complexes of gold(I) containing glycoconjugate carbene ligands: synthesis, characterization, cytotoxicity and interaction with proteins and DNA model systems.
Dalton Trans, 51, 2022
6DWA
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BU of 6dwa by Molmil
Structure of the 4497 Antibody Fab fragment bound to a Staphylococcus aureus wall techoic acid analog
Descriptor: 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol, 4497 Fab Heavy Chain, 4497 Fab Light Chain
Authors:Fong, R, Lupardus, P.J.
Deposit date:2018-06-26
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
6DWC
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BU of 6dwc by Molmil
Structure of the apo 4497 antibody Fab fragment
Descriptor: 4497 Fab Heavy Chain, 4497 Fab Light Chain, ACETATE ION, ...
Authors:Fong, R, Lupardus, P.J.
Deposit date:2018-06-26
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
2ANS
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BU of 2ans by Molmil
ADIPOCYTE LIPID BINDING PROTEIN COMPLEXED WITH 1-ANILINO-8-NAPHTHALENE SULFONATE
Descriptor: 8-ANILINO-1-NAPHTHALENE SULFONATE, ADIPOCYTE LIPID-BINDING PROTEIN, CHLORIDE ION
Authors:Ory, J.J, Banaszak, L.J.
Deposit date:1999-01-19
Release date:1999-07-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Studies of the ligand binding reaction of adipocyte lipid binding protein using the fluorescent probe 1, 8-anilinonaphthalene-8-sulfonate.
Biophys.J., 77, 1999
6IYF
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BU of 6iyf by Molmil
Structure of pSTING complex
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-12-15
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.764 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
2PHD
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BU of 2phd by Molmil
Crystal Structure Determination of a Salicylate 1,2-Dioxygenase from Pseudaminobacter salicylatoxidans
Descriptor: ACETATE ION, CHLORIDE ION, FE (III) ION, ...
Authors:Matera, I, Ferraroni, M, Briganti, F.
Deposit date:2007-04-11
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure Determination of a Salicylate 1,2-Dioxygenase from Pseudaminobacter salicylatoxidans
To be Published
2PMA
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BU of 2pma by Molmil
Structural Genomics, the crystal structure of a protein Lpg0085 with unknown function (DUF785) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1.
Descriptor: ACETATE ION, FORMIC ACID, Uncharacterized protein
Authors:Tan, K, Mulligan, R, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-04-20
Release date:2007-05-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The crystal structure of a protein Lpg0085 with unknown function (DUF785) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1.
To be Published
4ZBN
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BU of 4zbn by Molmil
Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-nerve growth factor, DNA (28-MER)
Authors:Davies, D.R, Edwards, T.E.
Deposit date:2015-04-15
Release date:2015-06-10
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.447 Å)
Cite:Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor.
Structure, 23, 2015
2PVA
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BU of 2pva by Molmil
OXIDIZED PENICILLIN V ACYLASE FROM B. SPHAERICUS
Descriptor: DITHIANE DIOL, PENICILLIN V ACYLASE
Authors:Suresh, C.G, Pundle, A.V, Rao, K.N, SivaRaman, H, Brannigan, J.A, McVey, C.E, Verma, C.S, Dauter, Z, Dodson, E.J, Dodson, G.G.
Deposit date:1998-11-13
Release date:2000-07-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Penicillin V acylase crystal structure reveals new Ntn-hydrolase family members.
Nat.Struct.Biol., 6, 1999
1MKO
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BU of 1mko by Molmil
A Fourth Quaternary Structure of Human Hemoglobin A at 2.18 A Resolution
Descriptor: CARBON MONOXIDE, Hemoglobin alpha chain, Hemoglobin beta chain, ...
Authors:Safo, M.K, Abraham, D.J.
Deposit date:2002-08-29
Release date:2002-09-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The enigma of the liganded hemoglobin end state: a novel quaternary structure of human carbonmonoxy hemoglobin.
Biochemistry, 44, 2005
1UJR
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BU of 1ujr by Molmil
Solution structure of WWE domain in BAB28015
Descriptor: hypothetical protein AK012080
Authors:He, F, Muto, Y, Hamana, H, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Kobayashi, N, Tanaka, A, Osanai, T, Matsuo, Y, Ohara, O, Nagase, T, Kikuno, R, Nagayama, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-08-11
Release date:2004-10-05
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of WWE domain in BAB28015
To be Published
6DW2
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BU of 6dw2 by Molmil
Structure of the 6078 Antibody Fab fragment bound to a Staphylococcus aureus wall techoic acid analog
Descriptor: 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol, 6078 Fab heavy chain, 6078 Fab light chain, ...
Authors:Fong, R, Lupardus, P.J.
Deposit date:2018-06-26
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
4A85
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BU of 4a85 by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with kinetin.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAJOR POLLEN ALLERGEN BET V 1-A, ...
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
6UE5
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BU of 6ue5 by Molmil
Crystal structure of full-length human DCAF15-DDB1-deltaPBP-DDA1-RBM39 in complex with 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
Descriptor: 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
Authors:Knapp, M.S, Shu, W, Xie, L, Bussiere, D.E.
Deposit date:2019-09-20
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
6DWI
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BU of 6dwi by Molmil
Structure of the 4462 Antibody Fab fragment bound to a Staphylococcus aureus wall techoic acid analog
Descriptor: 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol, 4462 Fab Heavy chain, 4462 Fab Light Chain, ...
Authors:Fong, R, Lupardus, P.J.
Deposit date:2018-06-26
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
3OUV
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BU of 3ouv by Molmil
SeMet Derivative of L512M mutant of PASTA domain 3 of Mycobacterium tuberculosis PknB
Descriptor: Serine/threonine protein kinase
Authors:Prigozhin, D.M, Chen, T.Y, Alber, T.
Deposit date:2010-09-15
Release date:2011-09-21
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Structural and Genetic Analyses of the Mycobacterium tuberculosis Protein Kinase B Sensor Domain Identify a Potential Ligand-binding Site.
J.Biol.Chem., 291, 2016
1UKX
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BU of 1ukx by Molmil
Solution structure of the RWD domain of mouse GCN2
Descriptor: GCN2 eIF2alpha kinase
Authors:Nameki, N, Yoneyama, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-09-03
Release date:2004-08-03
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the RWD domain of the mouse GCN2 protein.
Protein Sci., 13, 2004
4A88
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BU of 4a88 by Molmil
Crystal Structure of native Major Birch Pollen Allergen Bet v 1 isoform a
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR POLLEN ALLERGEN BET V 1-A, SULFATE ION
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
3FWR
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BU of 3fwr by Molmil
Crystal Structure of the CBS domains from the Bacillus subtilis CcpN repressor complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, YqzB protein
Authors:Chaix, D, Arold, S, Hoh, F, Declerck, N.
Deposit date:2009-01-19
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Ligand recognition by the energy sensor domain of the CcpN repressor
To be Published
5O2F
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BU of 5o2f by Molmil
Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A.
Deposit date:2017-05-20
Release date:2018-12-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
2REG
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BU of 2reg by Molmil
ABC-transporter choline binding protein in complex with choline
Descriptor: CHOLINE ION, PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN
Authors:Oswald, C, Schimtt, L, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Bremer, E.
Deposit date:2007-09-26
Release date:2008-09-16
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states.
J.Biol.Chem., 283, 2008
4GX5
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BU of 4gx5 by Molmil
GsuK Channel
Descriptor: CALCIUM ION, POTASSIUM ION, TrkA domain protein, ...
Authors:Kong, C, Zeng, W, Ye, S, Chen, L, Sauer, D.B, Lam, Y, Derebe, M.G, Jiang, Y.
Deposit date:2012-09-03
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel.
elife, 1, 2012
5JDV
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BU of 5jdv by Molmil
Human carbonic anhydrase II (F131W) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-17
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
3HU9
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BU of 3hu9 by Molmil
Nitrosobenzene in complex with T4 lysozyme L99A/M102Q
Descriptor: Lysozyme, NITROSOBENZENE, PHOSPHATE ION
Authors:Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
Deposit date:2009-06-13
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009

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