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1VRH
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BU of 1vrh by Molmil
HRV14/SDZ 880-061 COMPLEX
Descriptor: 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER, RHINOVIRUS 14
Authors:Oren, D.A, Zhang, A, Arnold, E.
Deposit date:1996-02-26
Release date:1997-02-12
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14.
J.Mol.Biol., 259, 1996
1KXG
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BU of 1kxg by Molmil
The 2.0 Ang Resolution Structure of BLyS, B Lymphocyte Stimulator.
Descriptor: 1,4-DIETHYLENE DIOXIDE, B lymphocyte stimulator, CITRIC ACID, ...
Authors:Oren, D.A, Li, Y, Volovik, Y, Morris, T.S, Dharia, C, Das, K, Galperina, O, Gentz, R, Arnold, E.
Deposit date:2002-01-31
Release date:2002-03-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of BLyS receptor recognition.
Nat.Struct.Biol., 9, 2002
1HRV
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BU of 1hrv by Molmil
HRV14/SDZ 35-682 COMPLEX
Descriptor: 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
Authors:Oren, D.A, Zhang, A, Arnold, E.
Deposit date:1995-03-02
Release date:1995-06-03
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:SDZ 35-682, a new picornavirus capsid-binding agent with potent antiviral activity.
Antiviral Res., 26, 1995
6VJT
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BU of 6vjt by Molmil
Co-crystals of broadly neutralizing antibody with the linear epitope from Hepatitis B surface antigen
Descriptor: Heavy Chain Fab Fragment of Monoclonal Ab15, Light Chain Fab Fragment of Monoclonal antibody A15, antigenic region 139-148 of Hepatitis B surface antigen protein
Authors:Oren, D.A, Nussenzweig, M.C, Wang, Q.
Deposit date:2020-01-17
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:A Combination of Human Broadly Neutralizing Antibodies against Hepatitis B Virus HBsAg with Distinct Epitopes Suppresses Escape Mutations.
Cell Host Microbe, 28, 2020
1HRI
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BU of 1hri by Molmil
STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14
Descriptor: 1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
Authors:Zhang, A, Nanni, R.G, Oren, D.A, Arnold, E.
Deposit date:1992-10-01
Release date:1993-10-31
Last modified:2023-01-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure determination of antiviral compound SCH 38057 complexed with human rhinovirus 14.
J.Mol.Biol., 230, 1993
6B8C
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BU of 6b8c by Molmil
Crystal structure of NlpC/p60 domain of peptidoglycan hydrolase SagA
Descriptor: NLP/P60
Authors:Kim, B, Oren, D.A, Hang, H.C.
Deposit date:2017-10-06
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Enterococcus faeciumsecreted antigen A generates muropeptides to enhance host immunity and limit bacterial pathogenesis.
Elife, 8, 2019
2NCK
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BU of 2nck by Molmil
CRYSTAL STRUCTURE OF MYXOCOCCUS XANTHUS NUCLEOSIDE DIPHOSPHATE KINASE AND ITS INTERACTION WITH A NUCLEOTIDE SUBSTRATE AT 2.0 ANGSTROMS RESOLUTION
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Williams, R.L, Oren, D.A, Arnold, E.
Deposit date:1993-11-15
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Myxococcus xanthus nucleoside diphosphate kinase and its interaction with a nucleotide substrate at 2.0 A resolution.
J.Mol.Biol., 234, 1993
1BCG
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BU of 1bcg by Molmil
SCORPION TOXIN BJXTR-IT
Descriptor: TOXIN BJXTR-IT
Authors:Oren, D, Froy, O, Amit, E, Kleinberger-Doron, N, Gurevitz, M, Shaanan, B.
Deposit date:1998-04-29
Release date:1998-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An excitatory scorpion toxin with a distinctive feature: an additional alpha helix at the C terminus and its implications for interaction with insect sodium channels.
Structure, 6, 1998
8F8W
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BU of 8f8w by Molmil
Crystal structure of Nb.X0 bound to the afucosylated human IgG1 fragment crystal form I
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb.X0, afucosylated IgG1 fragment
Authors:Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Oren, D.
Deposit date:2022-11-22
Release date:2023-03-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody.
Nat Commun, 14, 2023
8F8X
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BU of 8f8x by Molmil
Crystal structure of Nb.X0 bound to the afucosylated human IgG1 fragment crystal form II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb.X0, Uncharacterized protein DKFZp686C11235
Authors:Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Oren, D.
Deposit date:2022-11-22
Release date:2023-03-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody.
Nat Commun, 14, 2023
3DLK
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BU of 3dlk by Molmil
Crystal Structure of an engineered form of the HIV-1 Reverse Transcriptase, RT69A
Descriptor: Reverse transcriptase/ribonuclease H, SULFATE ION, p51 RT
Authors:Ho, W.C, Bauman, J.D, Himmel, D.M, Das, K, Arnold, E.
Deposit date:2008-06-27
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design.
Nucleic Acids Res., 36, 2008
8F8V
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BU of 8f8v by Molmil
Crystal structure of Nb.X0
Descriptor: Nb.X0
Authors:Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Andi, B.
Deposit date:2022-11-22
Release date:2023-03-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody.
Nat Commun, 14, 2023
5XUR
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BU of 5xur by Molmil
Crystal Structure of Rv2466c C22S Mutant
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Thioredoxin-like reductase Rv2466c
Authors:Zhang, X, Li, H.
Deposit date:2017-06-25
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Identification of a Mycothiol-Dependent Nitroreductase from Mycobacterium tuberculosis.
ACS Infect Dis, 4, 2018
1NLK
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BU of 1nlk by Molmil
CRYSTAL STRUCTURE OF MYXOCOCCUS XANTHUS NUCLEOSIDE DIPHOSPHATE KINASE AND ITS INTERACTION WITH A NUCLEOTIDE SUBSTRATE AT 2.0 ANGSTROMS RESOLUTION
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Williams, R.L.
Deposit date:1994-03-01
Release date:1994-05-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Myxococcus xanthus nucleoside diphosphate kinase and its interaction with a nucleotide substrate at 2.0 A resolution.
J.Mol.Biol., 234, 1993
3ZTR
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BU of 3ztr by Molmil
Hexagonal form P6122 of the Aquifex aeolicus nucleoside diphosphate kinase (FIRST STAGE OF RADIATION DAMAGE)
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A.
Deposit date:2011-07-12
Release date:2012-03-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An Inter-Subunit Disulphide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus
Proteins, 80, 2012
4G1Q
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BU of 4g1q by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug
Descriptor: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, MAGNESIUM ION, ...
Authors:Bauman, J.D, Patel, D, Das, K, Arnold, E.
Deposit date:2012-07-11
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase.
Nat Chem, 5, 2013
3QLH
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BU of 3qlh by Molmil
HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket
Descriptor: (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E.
Deposit date:2011-02-02
Release date:2011-12-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
3IG1
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BU of 3ig1 by Molmil
HIV-1 Reverse Transcriptase with the Inhibitor beta-Thujaplicinol Bound at the RNase H Active Site
Descriptor: 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, HIV-1 Reverse Transcriptase p51 subunit, HIV-1 Reverse Transcriptase p66 subunit, ...
Authors:Himmel, D.M, Maegley, K.A, Pauly, T.A, Arnold, E.
Deposit date:2009-07-27
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site.
Structure, 17, 2009
2HUR
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BU of 2hur by Molmil
Escherichia coli nucleoside diphosphate kinase
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION
Authors:Moynie, L, Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A.
Deposit date:2006-07-27
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The structure of the Escherichia coli nucleoside diphosphate kinase reveals a new quaternary architecture for this enzyme family
Proteins, 67, 2007
1EAH
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BU of 1eah by Molmil
PV2L COMPLEXED WITH ANTIVIRAL AGENT SCH48973
Descriptor: 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE, MYRISTIC ACID, POLIOVIRUS TYPE 2 COAT PROTEINS VP1 TO VP4
Authors:Lentz, K, Arnold, E.
Deposit date:1997-07-22
Release date:1998-09-16
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of poliovirus type 2 Lansing complexed with antiviral agent SCH48973: comparison of the structural and biological properties of three poliovirus serotypes.
Structure, 5, 1997
3ZTO
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BU of 3zto by Molmil
Orthorhombic crystal form C222 of the Aquifex aeolicus nucleoside diphosphate kinase
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION
Authors:Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A.
Deposit date:2011-07-12
Release date:2012-03-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:An Intersubunit Disulfide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus.
Proteins, 80, 2012
3ZTQ
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BU of 3ztq by Molmil
Hexagonal crystal form P61 of the Aquifex aeolicus nucleoside diphosphate kinase
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A.
Deposit date:2011-07-12
Release date:2012-02-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Inter-Subunit Disulphide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus
Proteins, 80, 2012
3ZTP
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BU of 3ztp by Molmil
Orthorhombic crystal form P21212 of the Aquifex aeolicus nucleoside diphosphate kinase
Descriptor: GLYCEROL, NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION
Authors:Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A.
Deposit date:2011-07-12
Release date:2012-03-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:An Intersubunit Disulfide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus.
Proteins, 80, 2012
3ZTS
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BU of 3zts by Molmil
Hexagonal form P6122 of the Aquifex aeolicus nucleoside diphosphate kinase (FINAL STAGE OF RADIATION DAMAGE)
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A.
Deposit date:2011-07-12
Release date:2012-03-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An Inter-Subunit Disulphide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus
Proteins, 80, 2012

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