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6EZ9
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BU of 6ez9 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor JHU3372
Descriptor: (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Novakova, Z, Motlova, L.
Deposit date:2017-11-14
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors.
Bioorg.Med.Chem., 27, 2019
7B0V
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BU of 7b0v by Molmil
Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
Descriptor: (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Iacovino, L.G, Binda, C.
Deposit date:2020-11-23
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B.
Acs Med.Chem.Lett., 12, 2021
7NTM
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BU of 7ntm by Molmil
Cryo-EM structure of S.cerevisiae native alcohol dehydrogenase 1 (ADH1) in its tetrameric apo state
Descriptor: Alcohol dehydrogenase 1, ZINC ION
Authors:Nzigou Mandouckou, J.A, Carroni, M, Haeggstrom, J.Z, Thulasingam, M.
Deposit date:2021-03-10
Release date:2022-10-12
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Cryo-EM structure of S.cerevisiae native alcohol dehydrogenase 1 (ADH1) in its tetrameric apo state
To Be Published
3IKR
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BU of 3ikr by Molmil
Crystal structure of alpha 1-4 mannobiose bound trimeric human lung surfactant protein D
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-mannopyranose
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2009-08-06
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural characterisation of ligand-binding determinants in human lung surfactant protein D: influence of Asp325
J.Mol.Biol., 394, 2009
6YJG
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BU of 6yjg by Molmil
Crystal structure of MINDY1 mutant-Y114F
Descriptor: Ubiquitin carboxyl-terminal hydrolase MINDY1
Authors:Abdul Rehman, S.A, Kulathu, Y.
Deposit date:2020-04-03
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2.
Mol.Cell, 81, 2021
6YJE
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BU of 6yje by Molmil
Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from PEG3350 and ammonium acetate at pH 5.5
Descriptor: (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one, Phosphoglycerate kinase
Authors:Blaszczyk, B.K, Hyvonen, M.
Deposit date:2020-04-03
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Phosphoglycerate Kinase as a potential target for antimalarial therapy
to be published
8GAC
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BU of 8gac by Molmil
Crystal structure of a high affinity CTLA-4 binder
Descriptor: 1,2-ETHANEDIOL, CTLA-4 binder
Authors:Yang, W, Almo, S.C, Ghosh, A.
Deposit date:2023-02-22
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of a high affinity CTLA-4 binder
To Be Published
8GAD
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BU of 8gad by Molmil
Crystal structure of a high affinity PD-L1 binder
Descriptor: INDOLE, PD-L1 binder
Authors:Yang, W, Almo, S.C, Ghosh, A.
Deposit date:2023-02-22
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of a high affinity PD-L1 binder
To Be Published
4X9H
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BU of 4x9h by Molmil
Crystal structure of Dscam1 isoform 8.4, N-terminal four Ig domains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Down syndrome cell adhesion molecule, isoform AP, ...
Authors:Chen, Q.
Deposit date:2014-12-11
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis of Dscam1 homodimerization: Insights into context constraint for protein recognition
Sci Adv, 2, 2016
8GAB
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BU of 8gab by Molmil
Crystal structure of CTLA-4 in complex with a high affinity CTLA-4 binder
Descriptor: CTLA-4 binder, Cytotoxic T-lymphocyte protein 4, POTASSIUM ION
Authors:Yang, W, Almo, S.C, Ghosh, A.
Deposit date:2023-02-22
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal structure of a high affinity CTLA-4 binder
To Be Published
1BUF
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BU of 1buf by Molmil
SELF-COMPLEMENTARY DNA 5'-D(CAATTG)2, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*AP*AP*TP*TP*G)-3')
Authors:Lam, S.L, Au-Yeung, S.C.F.
Deposit date:1996-06-24
Release date:1997-01-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Sequence-specific local structural variations in solution structures of d(CGXX'CG)2 and d(CAXX'TG)2 self-complementary deoxyribonucleic acids.
J.Mol.Biol., 266, 1997
1BZ2
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BU of 1bz2 by Molmil
STABILIZATION OF THE ANTICODON STEM-LOOP OF TRNALYS,3 BY AN A+C BASE PAIR AND BY PSEUDOURIDINE, NMR, 1 STRUCTURE
Descriptor: TRNA
Authors:Durant, P.C, Davis, D.R.
Deposit date:1998-11-05
Release date:1999-04-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Stabilization of the anticodon stem-loop of tRNALys,3 by an A+-C base-pair and by pseudouridine.
J.Mol.Biol., 285, 1999
1C34
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BU of 1c34 by Molmil
SOLUTION STRUCTURE OF A QUADRUPLEX FORMING DNA AND ITS INTERMIDIATE
Descriptor: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3')
Authors:Bolton, P.H, Marathias, V.M, Wang, K.
Deposit date:1999-07-24
Release date:1999-08-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structures of the potassium-saturated, 2:1, and intermediate, 1:1, forms of a quadruplex DNA.
Nucleic Acids Res., 28, 2000
1BOH
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BU of 1boh by Molmil
SULFUR-SUBSTITUTED RHODANESE (ORTHORHOMBIC FORM)
Descriptor: RHODANESE
Authors:Gliubich, F, Berni, R, Cianci, M, Trevino, R.J, Horowitz, P.M, Zanotti, G.
Deposit date:1998-08-04
Release date:1999-04-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NH2-terminal sequence truncation decreases the stability of bovine rhodanese, minimally perturbs its crystal structure, and enhances interaction with GroEL under native conditions.
J.Biol.Chem., 274, 1999
1BQ3
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BU of 1bq3 by Molmil
SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH INOSITOL HEXAKISPHOSPHATE
Descriptor: INOSITOL HEXAKISPHOSPHATE, PROTEIN (PHOSPHOGLYCERATE MUTASE 1), SULFATE ION
Authors:Rigden, D.J, Phillips, S.E.V, Fothergill-Gilmore, L.A.
Deposit date:1998-08-20
Release date:1998-08-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Polyanionic inhibitors of phosphoglycerate mutase: combined structural and biochemical analysis.
J.Mol.Biol., 289, 1999
1BRW
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BU of 1brw by Molmil
THE CRYSTAL STRUCTURE OF PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE IN A CLOSED CONFORMATION
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, PHOSPHATE ION, ...
Authors:Pugmire, M.J, Ealick, S.E.
Deposit date:1998-08-25
Release date:1999-01-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of pyrimidine nucleoside phosphorylase in a closed conformation.
Structure, 6, 1998
1BSJ
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BU of 1bsj by Molmil
COBALT DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI
Descriptor: (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE, COBALT (II) ION, PHOSPHATE ION, ...
Authors:Hao, B, Gong, W, Rajagopalan, P.T, Hu, Y, Pei, D, Chan, M.K.
Deposit date:1998-08-28
Release date:2000-04-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the design of antibiotics targeting peptide deformylase.
Biochemistry, 38, 1999
1BXC
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BU of 1bxc by Molmil
XYLOSE ISOMERASE FROM THERMUS CALDOPHILUS
Descriptor: XYLOSE ISOMERASE
Authors:Chang, C, Park, B.C, Lee, D.-S, Suh, S.W.
Deposit date:1998-10-02
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of thermostable xylose isomerases from Thermus caldophilus and Thermus thermophilus: possible structural determinants of thermostability.
J.Mol.Biol., 288, 1999
1BUI
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BU of 1bui by Molmil
Structure of the ternary microplasmin-staphylokinase-microplasmin complex: a proteinase-cofactor-substrate complex in action
Descriptor: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, Plasminogen, Staphylokinase
Authors:Parry, M.A.A, Fernandez-Catalan, C, Bergner, A, Huber, R, Hopfner, K, Schlott, B, Guehrs, K, Bode, W.
Deposit date:1998-09-04
Release date:1999-09-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The ternary microplasmin-staphylokinase-microplasmin complex is a proteinase-cofactor-substrate complex in action.
Nat.Struct.Biol., 5, 1998
6PAB
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BU of 6pab by Molmil
E. coli L-asparaginase II in complex with L-Asp at pH 7.0
Descriptor: ASPARTIC ACID, CITRIC ACID, IMIDAZOLE, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
1BLN
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BU of 1bln by Molmil
ANTI-P-GLYCOPROTEIN FAB MRK-16
Descriptor: PROTEIN (MONOCLONAL ANTIBODY MRK-16 (HEAVY CHAIN)), PROTEIN (MONOCLONAL ANTIBODY MRK-16 (LIGHT CHAIN))
Authors:Vasudevan, S, Tsuruo, T, Rose, D.R.
Deposit date:1998-07-16
Release date:1998-10-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mode of binding of anti-P-glycoprotein antibody MRK-16 to its antigen. A crystallographic and molecular modeling study.
J.Biol.Chem., 273, 1998
1C0Y
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BU of 1c0y by Molmil
SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT POSITIONED OPPOSITE DA AT A TEMPLATE-PRIMER JUNCTION
Descriptor: 2-AMINOFLUORENE, DNA (5'-D(*AP*AP*CP*GP*CP*TP*AP*CP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*GP*GP*TP*AP*GP*C)-3')
Authors:Gu, Z, Gorin, A, Hingerty, B.E, Broyde, S, Patel, D.J.
Deposit date:1999-07-19
Release date:1999-08-31
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structures of aminofluorene [AF]-stacked conformers of the syn [AF]-C8-dG adduct positioned opposite dC or dA at a template-primer junction.
Biochemistry, 38, 1999
1C2Q
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BU of 1c2q by Molmil
SOLUTION STRUCTURE OF A DNA.RNA HYBRID CONTAINING AN ALPHAT-ANOMERIC THYMIDINE AND POLARITY REVERSALS
Descriptor: 5'-D(ATGG-3'-3'-(T3P)-5'-5'-GCTC)-3', 5'-R(GAGCACCAU)-3'
Authors:Germann, M.W, Aramini, J.M.
Deposit date:1999-07-26
Release date:1999-11-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a DNA.RNA hybrid containing an alpha-anomeric thymidine and polarity reversals: d(ATGG-3'-3'-alphaT-5'-5'-GCTC). r(gagcaccau).
Biochemistry, 38, 1999
1BU4
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BU of 1bu4 by Molmil
RIBONUCLEASE 1 COMPLEX WITH 2'GMP
Descriptor: CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1
Authors:Loris, R, Devos, S, Langhorst, U, Decanniere, K, Bouckaert, J, Maes, D, Transue, T.R, Steyaert, J.
Deposit date:1998-09-11
Release date:1999-02-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conserved water molecules in a large family of microbial ribonucleases.
Proteins, 36, 1999
1BK1
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BU of 1bk1 by Molmil
ENDO-1,4-BETA-XYLANASE C
Descriptor: ENDO-1,4-B-XYLANASE C
Authors:Fushinobu, S, Ito, K, Konno, M, Wakagi, T, Matsuzawa, H.
Deposit date:1998-07-14
Release date:1999-01-13
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic and mutational analyses of an extremely acidophilic and acid-stable xylanase: biased distribution of acidic residues and importance of Asp37 for catalysis at low pH.
Protein Eng., 11, 1998

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