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6JTB
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BU of 6jtb by Molmil
Crystal structure of dipeptidyl peptidase 11 (DPP11) with citrate from Porphyromonas gingivalis (Space)
Descriptor: Asp/Glu-specific dipeptidyl-peptidase, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Sakamoto, Y, Suzuki, Y, Iizuka, I, Roppongi, S, Kushibiki, C, Nakamura, A, Ogasawara, W, Tanaka, N.
Deposit date:2019-04-10
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Fragment-based discovery of the first nonpeptidyl inhibitor of an S46 family peptidase.
Sci Rep, 9, 2019
6QEE
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BU of 6qee by Molmil
Nanodisc reconstituted Human-mouse chimeric ABCB1 (ABCB1HM)-EQ mutant in complex with UIC2 Fab and Zosuquidar.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ABCB1HM-EQ, ...
Authors:Alam, A.
Deposit date:2019-01-07
Release date:2019-02-27
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insight into substrate and inhibitor discrimination by human P-glycoprotein.
Science, 363, 2019
6KA0
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BU of 6ka0 by Molmil
Silver-bound E.coli Malate dehydrogenase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Malate dehydrogenase, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2019-06-19
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:MDH is a major silver target in E. coli
To Be Published
1CPW
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BU of 1cpw by Molmil
RECOMBINANT SPERM WHALE MYOGLOBIN L104W MUTANT (MET)
Descriptor: PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Liong, E.C, Phillips Jr, G.N.
Deposit date:1999-06-07
Release date:1999-06-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Waterproofing the heme pocket. Role of proximal amino acid side chains in preventing hemin loss from myoglobin.
J.Biol.Chem., 276, 2001
6JUC
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BU of 6juc by Molmil
Aspergillus oryzae pro-tyrosinase oxygen-bound C92A/H103F mutant
Descriptor: COPPER (II) ION, PEROXIDE ION, Tyrosinase
Authors:Fujieda, N, Umakoshi, K, Nishikawa, Y, Kurisu, G, Itoh, S.
Deposit date:2019-04-13
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Copper-Oxygen Dynamics in the Tyrosinase Mechanism.
Angew.Chem.Int.Ed.Engl., 59, 2020
6QFB
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BU of 6qfb by Molmil
Structure of the human ATP citrate lyase holoenzyme in complex with citrate, coenzyme A and Mg.ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, CITRATE ANION, ...
Authors:Verstraete, K, Verschueren, K.
Deposit date:2019-01-09
Release date:2019-04-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
6JUY
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BU of 6juy by Molmil
Crystal Structure of ArgZ, apo structure, an Arginine Dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria
Descriptor: Sll1336 protein
Authors:Zhuang, N, Li, L, Wu, X, Zhang, Y.
Deposit date:2019-04-15
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
4UND
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BU of 4und by Molmil
HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR TALAZOPARIB
Descriptor: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, POLY [ADP-RIBOSE] POLYMERASE 1, SODIUM ION
Authors:Karlberg, T, Thorsell, A.G, Ekblad, T, Klepsch, M, Pinto, A.F, Tresaugues, L, Moche, M, Schuler, H.
Deposit date:2014-05-27
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
6JUR
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BU of 6jur by Molmil
MsDpo4-DNA complex 5
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA (5'-D(*TP*CP*TP*GP*GP*GP*GP*TP*CP*CP*TP*A)-3'), DNA polymerase IV, ...
Authors:Nair, D.T, Johnson, M.K.
Deposit date:2019-04-15
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:A polar filter in DNA polymerases prevents ribonucleotide incorporation.
Nucleic Acids Res., 47, 2019
6JW0
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BU of 6jw0 by Molmil
Universal RVD R* accommodates cytosine via water-mediated interactions
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*CP*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector
Authors:Liu, L, Yi, C.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors.
J.Mol.Biol., 432, 2020
1D97
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BU of 1d97 by Molmil
CHIRAL PHOSPHOROTHIOATE ANALOGUES OF B-DNA: THE CRYSTAL STRUCTURE OF RP-D(GP(S) CPGP(S)CPGP(S)C)
Descriptor: DNA (5'-D(RP*GP*(SC)P*GP*(SC)P*GP*(SC))-3')
Authors:Cruse, W.B.T, Salisbury, S.A, Brown, T, Cosstick, R, Eckstein, F, Kennard, O.
Deposit date:1992-10-17
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Chiral phosphorothioate analogues of B-DNA. The crystal structure of Rp-d[Gp(S)CpGp(S)CpGp(S)C].
J.Mol.Biol., 192, 1986
6PUH
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BU of 6puh by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-Ribityl-less
Descriptor: 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, Human TCR alpha chain, ...
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 (1.88 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
1CNW
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BU of 1cnw by Molmil
SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS
Descriptor: AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Boriack, P.A, Christianson, D.W.
Deposit date:1995-07-21
Release date:1995-11-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Secondary interactions significantly removed from the sulfonamide binding pocket of carbonic anhydrase II influence inhibitor binding constants.
J.Med.Chem., 38, 1995
4UBW
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BU of 4ubw by Molmil
Apo structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis
Descriptor: Acetyl-CoA acetyltransferase FadA5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Schaefer, C.M, Kisker, C.
Deposit date:2014-08-13
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis.
Structure, 23, 2015
6QKV
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BU of 6qkv by Molmil
Structure of YibK from P. aeruginosa
Descriptor: GLYCEROL, SULFATE ION, tRNA (cytidine(34)-2'-O)-methyltransferase
Authors:Mikula, K.M, Tascon, I, Iwai, H.
Deposit date:2019-01-30
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Tying up the Loose Ends: A Mathematically Knotted Protein.
Front Chem, 9, 2021
6QL4
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BU of 6ql4 by Molmil
Crystal structure of nucleotide-free Mgm1
Descriptor: 1,2-ETHANEDIOL, Putative mitochondrial dynamin protein
Authors:Faelber, K, Dietrich, L, Noel, J.K, Wollweber, F, Pfitzner, A.-K, Muehleip, A, Sanchez, R, Kudryashev, M, Chiaruttin, N, Lilie, H, Schlegel, J, Rosenbaum, E, Hessenberger, M, Matthaeus, C, Noe, F, Roux, A, vanderLaan, M, Kuehlbrandt, W, Daumke, O.
Deposit date:2019-01-31
Release date:2019-07-03
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
6PWR
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BU of 6pwr by Molmil
Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of GlcNAc-beta1-2-Man
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, CALCIUM ION, Fc fragment of IgE receptor II
Authors:Weis, W.I, Feinberg, H.
Deposit date:2019-07-23
Release date:2019-09-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019
1CH3
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BU of 1ch3 by Molmil
RECOMBINANT SPERM WHALE MYOGLOBIN L89W MUTANT (MET)
Descriptor: PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Liong, E.C, Phillips Jr, G.N.
Deposit date:1999-03-31
Release date:1999-04-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Waterproofing the heme pocket. Role of proximal amino acid side chains in preventing hemin loss from myoglobin.
J.Biol.Chem., 276, 2001
6K03
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BU of 6k03 by Molmil
Crystal structure of ceH2A-H2B
Descriptor: Histone H2B 1,Histone H2A
Authors:Liu, Y.R.
Deposit date:2019-05-05
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.857 Å)
Cite:Crystal structure of xlH2A-H2B
Structure, 2019
1CWS
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BU of 1cws by Molmil
HUMAN CDC25B CATALYTIC DOMAIN WITH TUNGSTATE
Descriptor: BETA-MERCAPTOETHANOL, CDC25 B-TYPE TYROSINE PHOSPHATASE, CHLORIDE ION, ...
Authors:Watenpaugh, K.D, Reynolds, R.A, Chidester, C.G.
Deposit date:1999-08-26
Release date:2000-08-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the catalytic subunit of Cdc25B required for G2/M phase transition of the cell cycle.
J.Mol.Biol., 293, 1999
6K0E
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BU of 6k0e by Molmil
The quinary complex of AsqJ-Fe-2OG-dehydrocyclopeptin-dioxygen
Descriptor: (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, 2-OXOGLUTARIC ACID, FE (III) ION, ...
Authors:Liao, H.J, Chan, N.L.
Deposit date:2019-05-06
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:The quinary complex of AsqJ-Fe-2OG-dehydrocyclopeptin-dioxygen
J.Am.Chem.Soc., 2020
6PXW
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BU of 6pxw by Molmil
Cryo-EM structure of full-length insulin receptor bound to 4 insulin. 3D refinement was focused on the top part of the receptor complex.
Descriptor: Insulin, Insulin receptor
Authors:Uchikawa, E, Choi, E, Shang, G.J, Yu, H.T, Bai, X.C.
Deposit date:2019-07-28
Release date:2019-09-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Activation mechanism of the insulin receptor revealed by cryo-EM structure of the fully liganded receptor-ligand complex.
Elife, 8, 2019
4UGM
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BU of 4ugm by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
1CY0
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BU of 1cy0 by Molmil
COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 3'-5'-ADENOSINE DIPHOSPHATE
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, DNA TOPOISOMERASE I
Authors:Feinberg, H, Changela, A, Mondragon, A.
Deposit date:1999-08-31
Release date:2000-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Protein-nucleotide interactions in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
1CYC
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BU of 1cyc by Molmil
THE CRYSTAL STRUCTURE OF BONITO (KATSUO) FERROCYTOCHROME C AT 2.3 ANGSTROMS RESOLUTION. II. STRUCTURE AND FUNCTION
Descriptor: FERROCYTOCHROME C, HEME C
Authors:Tanaka, N, Yamane, T, Tsukihara, T, Ashida, T, Kakudo, M.
Deposit date:1976-08-01
Release date:1976-10-06
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of bonito (katsuo) ferrocytochrome c at 2.3 A resolution. II. Structure and function.
J.Biochem.(Tokyo), 77, 1975

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