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6OKO
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BU of 6oko by Molmil
Crystal structure of mRIPK3 complexed with N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3
Authors:Pokross, M.E.
Deposit date:2019-04-14
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage.
Acs Med.Chem.Lett., 11, 2020
6YW8
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BU of 6yw8 by Molmil
NMR solution structure of unbound recombinant human Nerve Growth Factor (rhNGF)
Descriptor: Beta-nerve growth factor
Authors:Golic Grdadolnik, S, Paoletti, F.
Deposit date:2020-04-29
Release date:2021-05-12
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:Endogenous modulators of neurotrophin signaling: Landscape of the transient ATP-NGF interactions.
Comput Struct Biotechnol J, 19, 2021
1A5I
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BU of 1a5i by Molmil
CATALYTIC DOMAIN OF VAMPIRE BAT (DESMODUS ROTUNDUS) SALIVA PLASMINOGEN ACTIVATOR IN COMPLEX WITH EGR-CMK (GLU-GLY-ARG CHLOROMETHYL KETONE)
Descriptor: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, PLASMINOGEN ACTIVATOR
Authors:Renatus, M, Stubbs, M.T, Bode, W.
Deposit date:1998-02-17
Release date:1999-03-23
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Catalytic domain structure of vampire bat plasminogen activator: a molecular paradigm for proteolysis without activation cleavage.
Biochemistry, 36, 1997
4Z21
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BU of 4z21 by Molmil
Crystal structure of ARNO Sec7
Descriptor: 1,2-ETHANEDIOL, Cytohesin-2
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2015-03-28
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Lack of evidence that CYTH2/ARNO functions as an intracellular EGFR activator
To Be Published
2OT3
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BU of 2ot3 by Molmil
Crystal structure of rabex-5 VPS9 domain in complex with nucleotide free RAB21
Descriptor: Rab5 GDP/GTP exchange factor, Ras-related protein Rab-21
Authors:Delprato, A, Lambright, D.
Deposit date:2007-02-07
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for Rab GTPase activation by VPS9 domain exchange factors.
Nat.Struct.Mol.Biol., 14, 2007
7JRA
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BU of 7jra by Molmil
HUMAN TNF-ALPHA IN COMPLEX WITH 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
Descriptor: 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol, GLYCEROL, Tumor necrosis factor
Authors:Sheriff, S.
Deposit date:2020-08-11
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNF alpha Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches.
J.Med.Chem., 63, 2020
1BTH
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BU of 1bth by Molmil
STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, THROMBIN
Authors:Van De Locht, A, Bode, W, Stubbs, M.T.
Deposit date:1996-12-03
Release date:1997-12-24
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The thrombin E192Q-BPTI complex reveals gross structural rearrangements: implications for the interaction with antithrombin and thrombomodulin.
EMBO J., 16, 1997
1BDA
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BU of 1bda by Molmil
CATALYTIC DOMAIN OF HUMAN SINGLE CHAIN TISSUE PLASMINOGEN ACTIVATOR IN COMPLEX WITH DANSYL-EGR-CMK (DANSYL-GLU-GLY-ARG CHLOROMETHYL KETONE)
Descriptor: N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide, SINGLE CHAIN TISSUE TYPE PLASMINOGEN ACTIVATOR
Authors:Bode, W, Renatus, M, Engh, R.A.
Deposit date:1998-05-07
Release date:1999-05-11
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Lysine 156 promotes the anomalous proenzyme activity of tPA: X-ray crystal structure of single-chain human tPA.
EMBO J., 16, 1997
2EU1
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BU of 2eu1 by Molmil
Crystal structure of the chaperonin GroEL-E461K
Descriptor: GROEL
Authors:Cabo-Bilbao, A, Spinelli, S, Sot, B, Agirre, J, Mechaly, A.E, Muga, A, Guerin, D.M.A.
Deposit date:2005-10-28
Release date:2006-08-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Crystal structure of the temperature-sensitive and allosteric-defective chaperonin GroEL(E461K).
J.Struct.Biol., 155, 2006
5LLK
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BU of 5llk by Molmil
Crystal structure of human alpha-dystroglycan
Descriptor: 1,2-ETHANEDIOL, Dystroglycan
Authors:Covaceuszach, S, Cassetta, A, Lamba, D, Brancaccio, A, Bozzi, M, Sciandra, F, Bigotti, M.G, Konarev, P.V.
Deposit date:2016-07-27
Release date:2017-07-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural flexibility of human alpha-dystroglycan.
FEBS Open Bio, 7, 2017
3IB7
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BU of 3ib7 by Molmil
Crystal structure of full length Rv0805
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Podobnik, M, Dermol, U.
Deposit date:2009-07-15
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A mycobacterial cyclic AMP phosphodiesterase that moonlights as a modifier of cell wall permeability
J.Biol.Chem., 284, 2009
3IB8
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BU of 3ib8 by Molmil
Crystal structure of full length Rv0805 in complex with 5'-AMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Podobnik, M, Dermol, U.
Deposit date:2009-07-15
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A mycobacterial cyclic AMP phosphodiesterase that moonlights as a modifier of cell wall permeability
J.Biol.Chem., 284, 2009
1XDF
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BU of 1xdf by Molmil
Crystal structure of pathogenesis-related protein LlPR-10.2A from yellow lupine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PR10.2A, SODIUM ION
Authors:Pasternak, O, Biesiadka, J, Dolot, R, Handschuh, L, Bujacz, G, Sikorski, M.M, Jaskolski, M.
Deposit date:2004-09-06
Release date:2005-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a yellow lupin pathogenesis-related PR-10 protein belonging to a novel subclass.
Acta Crystallogr.,Sect.D, 61, 2005
1ZFV
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BU of 1zfv by Molmil
The structure of an all-RNA minimal Hairpin Ribozyme with Mutation G8A at the cleavage site
Descriptor: 5'-R(*CP*GP*GP*UP*GP*AP*AP*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*AP*GP*UP*CP*CP*AP*CP*CP*G)-3', ...
Authors:Wedekind, J.E.
Deposit date:2005-04-20
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer.
Biochemistry, 45, 2006
1ZFX
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BU of 1zfx by Molmil
The Structure of a minimal all-RNA Hairpin Ribozyme with the mutant G8U at the cleavage site
Descriptor: 5'-R(*CP*GP*GP*UP*GP*AP*UP*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*AP*GP*UP*CP*CP*AP*CP*CP*G)-3', ...
Authors:Wedekind, J.E.
Deposit date:2005-04-20
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer.
Biochemistry, 45, 2006
1ZFT
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BU of 1zft by Molmil
The crystal structure of an all-RNA minimal Hairpin Ribozyme with mutant G8I at the cleavage site
Descriptor: 5'-R(*CP*GP*GP*UP*GP*AP*IP*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*(A2M)P*GP*UP*CP*CP*AP*CP*CP*G)-3', ...
Authors:Wedekind, J.E.
Deposit date:2005-04-20
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer.
Biochemistry, 45, 2006
1TOC
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BU of 1toc by Molmil
STRUCTURE OF SERINE PROTEINASE
Descriptor: ORNITHODORIN, THROMBIN
Authors:Van De Locht, A, Huber, R, Bode, W.
Deposit date:1996-07-20
Release date:1997-07-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The ornithodorin-thrombin crystal structure, a key to the TAP enigma?
EMBO J., 15, 1996
2QIM
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BU of 2qim by Molmil
Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Cytokinin
Descriptor: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, CALCIUM ION, GLYCEROL, ...
Authors:Fernandes, H.C, Pasternak, O, Bujacz, G, Bujacz, A, Sikorski, M.M, Jaskolski, M.
Deposit date:2007-07-05
Release date:2008-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Lupinus luteus pathogenesis-related protein as a reservoir for cytokinin.
J.Mol.Biol., 378, 2008
3E85
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BU of 3e85 by Molmil
Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Diphenylurea
Descriptor: 1,3-DIPHENYLUREA, PR10.2B, SODIUM ION
Authors:Fernandes, H.C, Bujacz, G, Bujacz, A, Sikorski, M.M, Jaskolski, M.
Deposit date:2008-08-19
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cytokinin-induced structural adaptability of a Lupinus luteus PR-10 protein.
Febs J., 276, 2009
3RL3
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BU of 3rl3 by Molmil
Rat metallophosphodiesterase MPPED2
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Podobnik, M, Dermol, U.
Deposit date:2011-04-19
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Unique utilization of a phosphoprotein phosphatase fold by a mammalian phosphodiesterase associated with WAGR syndrome.
J.Mol.Biol., 412, 2011
3RL4
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BU of 3rl4 by Molmil
Rat metallophosphodiesterase MPPED2 G252H Mutant
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Podobnik, M, Dermol, U.
Deposit date:2011-04-19
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Unique utilization of a phosphoprotein phosphatase fold by a mammalian phosphodiesterase associated with WAGR syndrome.
J.Mol.Biol., 412, 2011
3RL5
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BU of 3rl5 by Molmil
Rat metallophosphodiesterase MPPED2 H67R Mutant
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Metallophosphoesterase MPPED2, ...
Authors:Podobnik, M, Dermol, U.
Deposit date:2011-04-19
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Unique utilization of a phosphoprotein phosphatase fold by a mammalian phosphodiesterase associated with WAGR syndrome.
J.Mol.Biol., 412, 2011
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