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7CJL
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BU of 7cjl by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide
Descriptor: (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Yan, Y.-H, Chen, J, Zhan, Z, Yu, Z.-J, Li, G, Li, G.-B, Guo, L, Wu, Y.
Deposit date:2020-07-11
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:Discovery of mercaptopropanamide-substituted aryl tetrazoles as new broad-spectrum metallo-beta-lactamase inhibitors.
Rsc Adv, 10, 2020
2PB1
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BU of 2pb1 by Molmil
Exo-B-(1,3)-Glucanase from Candida Albicans in complex with unhydrolysed and covalently linked 2,4-dinitrophenyl-2-deoxy-2-fluoro-B-D-glucopyranoside at 1.9 A
Descriptor: 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, Hypothetical protein XOG1
Authors:Cutfield, S.M, Cutfield, J.F, Davies, G.J, Sullivan, P.A.
Deposit date:2007-03-28
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exo-B-(1,3)-Glucanase from Candida Albicans in complex with unhydrolysed and covalently linked 2,4-dinitrophenyl-2-deoxy-2-fluoro-B-D-glucopyranoside at 1.9 A
To be Published
4LJQ
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BU of 4ljq by Molmil
Crystal structure of the catalytic core of E3 ligase HOIP
Descriptor: E3 ubiquitin-protein ligase RNF31, ZINC ION
Authors:Stieglitz, B, Rana, R.R, Koliopoulos, M.G, Morris-Davies, A.C, Christodoulou, E, Howell, S, Brown, N.R, Rittinger, K.
Deposit date:2013-07-05
Release date:2013-10-16
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for ligase-specific conjugation of linear ubiquitin chains by HOIP.
Nature, 503, 2013
4LLV
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BU of 4llv by Molmil
The structure of the unbound form of anti-HIV antibody 4E10 Fv
Descriptor: 4E10 Fv heavy chain, 4E10 Fv light chain, GLYCEROL, ...
Authors:Finton, K.A.K, Rupert, P.B, Strong, R.K.
Deposit date:2013-07-09
Release date:2013-10-16
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Autoreactivity and Exceptional CDR Plasticity (but Not Unusual Polyspecificity) Hinder Elicitation of the Anti-HIV Antibody 4E10.
Plos Pathog., 9, 2013
6M4H
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BU of 6m4h by Molmil
Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2
Descriptor: DNA (103-MER), Histone H2A-Bbd type 2/3, Histone H2B type 2-E, ...
Authors:Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q.
Deposit date:2020-03-07
Release date:2020-09-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
1QV0
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BU of 1qv0 by Molmil
Atomic resolution structure of obelin from Obelia longissima
Descriptor: C2-HYDROPEROXY-COELENTERAZINE, COBALT (II) ION, GLYCEROL, ...
Authors:Liu, Z.J, Vysotski, E.S, Deng, L, Lee, J, Rose, J, Wang, B.C.
Deposit date:2003-08-26
Release date:2003-11-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic resolution structure of obelin: soaking with calcium enhances electron density of the second oxygen atom substituted at the C2-position of coelenterazine.
Biochem.Biophys.Res.Commun., 311, 2003
3TEB
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BU of 3teb by Molmil
endonuclease/exonuclease/phosphatase family protein from Leptotrichia buccalis C-1013-b
Descriptor: Endonuclease/exonuclease/phosphatase, MAGNESIUM ION
Authors:Chang, C, Bigelow, L, Muniez, I, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-08-12
Release date:2011-08-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Crystal structure of endonuclease/exonuclease/phosphatase family protein from Leptotrichia buccalis C-1013-b
To be Published
3K8C
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BU of 3k8c by Molmil
Complex of Trypanosoma cruzi ribose 5-phosphate isomerase type B with 4-deoxy-4-phospho-D-erythronohydroxamic acid
Descriptor: 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID, Ribose 5-phosphate isomerase
Authors:Naworyta, A, Mowbray, S.L, Stern, A.L.
Deposit date:2009-10-14
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of type B ribose 5-phosphate isomerase from Trypanosoma cruzi shed light on the determinants of sugar specificity in the structural family.
Febs J., 278, 2011
1P2P
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BU of 1p2p by Molmil
STRUCTURE OF PORCINE PANCREATIC PHOSPHOLIPASE A2 AT 2.6 ANGSTROMS RESOLUTION AND COMPARISON WITH BOVINE PHOSPHOLIPASE A2
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Dijkstra, B.W, Renetseder, R, Kalk, K.H, Hol, W.G.J, Drenth, J.
Deposit date:1983-06-27
Release date:1983-09-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of porcine pancreatic phospholipase A2 at 2.6 A resolution and comparison with bovine phospholipase A2.
J.Mol.Biol., 168, 1983
4M4R
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BU of 4m4r by Molmil
Epha4 ectodomain complex with ephrin a5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-A receptor 4, ...
Authors:Xu, K, Tsvetkova-Robev, D, Xu, Y, Goldgur, Y, Chan, Y.-P, Himanen, J.P, Nikolov, D.B.
Deposit date:2013-08-07
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Insights into Eph receptor tyrosine kinase activation from crystal structures of the EphA4 ectodomain and its complex with ephrin-A5.
Proc.Natl.Acad.Sci.USA, 110, 2013
2INQ
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BU of 2inq by Molmil
Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate
Descriptor: Dihydrofolate reductase, N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID
Authors:Bennett, B.C, Langan, P.A, Coates, L, Schoenborn, B, Dealwis, C.G.
Deposit date:2006-10-08
Release date:2007-02-06
Last modified:2023-08-30
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5KAN
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BU of 5kan by Molmil
Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.g.07 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin
Descriptor: 16.g.07 Heavy chain, 16.g.07 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.785 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell(Cambridge,Mass.), 166, 2016
3OKY
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BU of 3oky by Molmil
Plexin A2 in complex with Semaphorin 6A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Janssen, B.J.C, Robinson, R.A, Bell, C.H, Siebold, C, Jones, E.Y.
Deposit date:2010-08-25
Release date:2010-10-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.195 Å)
Cite:Structural basis of semaphorin-plexin signalling.
Nature, 467, 2010
4IYB
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BU of 4iyb by Molmil
Macrolepiota procera ricin B-like lectin (MPL) in complex with galactose
Descriptor: GLYCEROL, Ricin B-like lectin, beta-D-galactopyranose
Authors:Renko, M, Zurga, S, Sabotic, J, Pohleven, J, Kos, J, Turk, D.
Deposit date:2013-01-28
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Macrolepiota procera ricin B-like lectin (MPL) in complex with galactose
To be Published
1GUQ
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BU of 1guq by Molmil
STRUCTURE OF NUCLEOTIDYLTRANSFERASE COMPLEXED WITH UDP-GLUCOSE
Descriptor: FE (III) ION, GALACTOSE-1-PHOSPHATE URIDYLYLTRANSFERASE, POTASSIUM ION, ...
Authors:Thoden, J.B, Rayment, I, Holden, H.
Deposit date:1996-10-23
Release date:1997-11-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of the H166G site-directed mutant of galactose-1-phosphate uridylyltransferase complexed with either UDP-glucose or UDP-galactose: detailed description of the nucleotide sugar binding site.
Biochemistry, 36, 1997
1GUP
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BU of 1gup by Molmil
STRUCTURE OF NUCLEOTIDYLTRANSFERASE COMPLEXED WITH UDP-GALACTOSE
Descriptor: FE (III) ION, GALACTOSE-1-PHOSPHATE URIDYLYLTRANSFERASE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, ...
Authors:Thoden, J.B, Rayment, I, Holden, H.
Deposit date:1996-10-23
Release date:1997-11-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of the H166G site-directed mutant of galactose-1-phosphate uridylyltransferase complexed with either UDP-glucose or UDP-galactose: detailed description of the nucleotide sugar binding site.
Biochemistry, 36, 1997
3SGP
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BU of 3sgp by Molmil
Amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin B chain
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2011-06-15
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4016 Å)
Cite:Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
5VBN
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BU of 5vbn by Molmil
Crystal Structure of human DNA polymerase epsilon B-subunit in complex with C-terminal domain of catalytic subunit
Descriptor: DNA polymerase epsilon catalytic subunit A, DNA polymerase epsilon subunit 2, SULFATE ION, ...
Authors:Baranovskiy, A.G, Gu, J, Suwa, Y, Babayeva, N.D, Tahirov, T.H.
Deposit date:2017-03-29
Release date:2017-08-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the human Pol B-subunit in complex with the C-terminal domain of the catalytic subunit.
J. Biol. Chem., 292, 2017
6C0N
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BU of 6c0n by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 25a
Descriptor: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
Authors:Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
Deposit date:2018-01-01
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
1H0G
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BU of 1h0g by Molmil
Complex of a chitinase with the natural product cyclopentapeptide argadin from Clonostachys
Descriptor: Argadin, CHITINASE B, GLYCEROL
Authors:Houston, D, Shiomi, K, Arai, N, Omura, S, Peter, M.G, Turberg, A, Synstad, B, Eijsink, V.G.H, Aalten, D.M.F.
Deposit date:2002-06-19
Release date:2002-06-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High Resolution Inhibited Complexes of a Chitinase with Natural Product Cyclopentapeptides - Peptide Mimicry of a Carbohydrate Substrate
Proc.Natl.Acad.Sci.USA, 99, 2002
4FRE
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BU of 4fre by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 6.5 with MPD as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, URIDINE-5'-DIPHOSPHATE, ...
Authors:Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
Deposit date:2012-06-26
Release date:2013-12-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
2C81
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BU of 2c81 by Molmil
Crystal structures of the PLP- and PMP-bound forms of BtrR, a dual functional aminotransferase involved in butirosin biosynthesis.
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, GLUTAMINE-2-DEOXY-SCYLLO-INOSOSE AMINOTRANSFERASE
Authors:Popovic, B, Tang, X, Chirgadze, D.Y, Huang, F, Blundell, T.L, Spencer, J.B.
Deposit date:2005-11-30
Release date:2006-08-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of the PLP- and PMP-bound forms of BtrR, a dual functional aminotransferase involved in butirosin biosynthesis.
Proteins, 65, 2006
4FRM
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BU of 4frm by Molmil
Crystal Structure of BBBB+UDP+Gal at pH 7.0 with MPD as the cryoprotectant
Descriptor: Histo-blood group ABO system transferase, URIDINE-5'-DIPHOSPHATE, beta-D-galactopyranose
Authors:Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
Deposit date:2012-06-26
Release date:2013-12-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
3BXQ
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BU of 3bxq by Molmil
The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition
Descriptor: ZINC ION, insulin A chain, insulin B chain
Authors:Wan, Z.L, Huang, K, Hu, S.Q, Whittaker, J, Weiss, M.A.
Deposit date:2008-01-14
Release date:2008-05-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition.
J.Biol.Chem., 283, 2008
6C0R
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BU of 6c0r by Molmil
Crystal structure of HIV-1 K103N/Y181C mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a
Descriptor: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
Authors:Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
Deposit date:2018-01-02
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018

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