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1WYX
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BU of 1wyx by Molmil
The Crystal Structure of the p130Cas SH3 Domain at 1.1 A Resolution
Descriptor: 1,2-ETHANEDIOL, CRK-associated substrate, MAGNESIUM ION
Authors:Wisniewska, M, Bossenmaier, B, Georges, G, Hesse, F, Dangl, M, Kuenkele, K.P, Ioannidis, I, Huber, R, Engh, R.A.
Deposit date:2005-02-17
Release date:2005-04-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:The 1.1 A resolution crystal structure of the p130cas SH3 domain and ramifications for ligand selectivity
J.Mol.Biol., 347, 2005
5BMF
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BU of 5bmf by Molmil
Crystal Structure of a Theophylline binding antibody Fab fragment
Descriptor: 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate, Fab fragment heavy chain, Fab fragment light chain
Authors:Bujotzek, A, Fuchs, A, Changtao, Q, Klostermann, S, Benz, J, Antes, I, Dengl, S, Hoffmann, E, Georges, G.
Deposit date:2015-05-22
Release date:2015-07-29
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:MoFvAb: Modeling the Fv region of antibodies.
Mabs, 7, 2015
5DMG
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BU of 5dmg by Molmil
X-RAY STRUCTURE OF THE FAB FRAGMENT OF THE ANTI TAU ANTIBODY RB86 IN COMPLEX WITH THE PHOSPHORYLATED TAU PEPTIDE (416-430)
Descriptor: Microtubule-associated protein, RB86 antibody Fab fragment heavy chain, RB86 antibody Fab fragment light chain
Authors:Benz, J, Lorenz, S, Georges, G, Jochner, A, Goepfert, U, Grueninger, F, Bujotzek, A.
Deposit date:2015-09-08
Release date:2015-12-16
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:VH-VL orientation prediction for antibody humanization candidate selection: A case study.
Mabs, 8, 2016
6ELJ
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BU of 6elj by Molmil
FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
Descriptor: fAB heavy chain, fAB light chain
Authors:Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G.
Deposit date:2017-09-29
Release date:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
To Be Published
6ELE
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BU of 6ele by Molmil
FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, fAB heavy chain, ...
Authors:Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G.
Deposit date:2017-09-28
Release date:2017-11-08
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
To Be Published
6ELL
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BU of 6ell by Molmil
FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
Descriptor: fAB heavy chain, fAB light chain
Authors:Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G.
Deposit date:2017-09-29
Release date:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
To Be Published
6EMJ
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BU of 6emj by Molmil
FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
Descriptor: SODIUM ION, fAB heavy chain, fAb light chain
Authors:Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G.
Deposit date:2017-10-02
Release date:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery
To Be Published
4S1D
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BU of 4s1d by Molmil
Structure of IgG1 Fab fragment in complex with Biotincytidinamide
Descriptor: MAB M33 FAB FRAGMENT, heavy chain, light chain, ...
Authors:Dengl, S, Hoffmann, E, Grote, M, Wagner, C, Mundigl, O, Georges, G, Theorey, I, Stubenrauch, K.-G, Bujotzek, A, Josel, H.-P, Dziadek, S, Benz, J, Brinkmann, U.
Deposit date:2015-01-13
Release date:2015-03-04
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Hapten-directed spontaneous disulfide shuffling: a universal technology for site-directed covalent coupling of payloads to antibodies.
Faseb J., 29, 2015
3T2N
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BU of 3t2n by Molmil
Human hepsin protease in complex with the Fab fragment of an inhibitory antibody
Descriptor: Antibody, Fab fragment, Heavy Chain, ...
Authors:Koschubs, T, Dengl, S, Duerr, H, Kaluza, K, Georges, G, Hartl, C, Jennewein, S, Lanzendoerfer, M, Auer, J, Stern, A, Huang, K.-S, Kostrewa, D, Ries, S, Hansen, S, Kohnert, U, Cramer, P, Mundigl, O.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Allosteric antibody inhibition of human hepsin protease.
Biochem.J., 442, 2012
7BBG
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BU of 7bbg by Molmil
CRYSTAL STRUCTURE OF HLA-A2-WT1-RMF AND FAB 11D06
Descriptor: Beta-2-microglobulin, Heavy chain of Fab fragment 11D06, Light chain of Fab fragment 11D06, ...
Authors:Bujotzek, A, Georges, G, Hanisch, L.J, Klein, C, Benz, J.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2022-01-05
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Targeting intracellular WT1 in AML with a novel RMF-peptide-MHC-specific T-cell bispecific antibody.
Blood, 138, 2021
5DFV
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BU of 5dfv by Molmil
CRYSTAL STRUCTURE OF HUMAN CD81 LARGE EXTRACELLULAR LOOP IN COMPLEX WITH MURINE FAB FRAGMENT K04
Descriptor: CD81 antigen, FAB HEAVY CHAIN, FAB LIGHT CHAIN
Authors:Harris, S.F, Wong, A, Kuglstatter, A.
Deposit date:2015-08-27
Release date:2015-12-16
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:VH-VL orientation prediction for antibody humanization candidate selection: A case study.
Mabs, 8, 2016
5DFW
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BU of 5dfw by Molmil
CRYSTAL STRUCTURE OF HUMAN CD81 LARGE EXTRACELLULAR LOOP IN COMPLEX WITH SINGLE CHAIN FV FRAGMENT K13
Descriptor: CD81 antigen, SINGLE CHAIN FV FRAGMENT
Authors:Harris, S.F, Villasenor, A, Kuglstatter, A.
Deposit date:2015-08-27
Release date:2015-12-16
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:VH-VL orientation prediction for antibody humanization candidate selection: A case study.
Mabs, 8, 2016
6YSC
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BU of 6ysc by Molmil
GLYCOSYLATED KNOB-HOLE/DUMMY FC FRAGMENT
Descriptor: Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Kuglstatter, A, Leibrock, L, Benz, J.
Deposit date:2020-04-22
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Format chain exchange (FORCE) for high-throughput generation of bispecific antibodies in combinatorial binder-format matrices.
Nat Commun, 11, 2020
6YT7
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BU of 6yt7 by Molmil
GLYCOSYLATED KNOB/DUMMY-HOLE FC FRAGMENT
Descriptor: Ig gamma-1 chain C region, Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Kuglstatter, A, Leibrock, L, Benz, J.
Deposit date:2020-04-24
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Format chain exchange (FORCE) for high-throughput generation of bispecific antibodies in combinatorial binder-format matrices.
Nat Commun, 11, 2020
6YTB
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BU of 6ytb by Molmil
GLYCOSYLATED KNOB/DUMMY-HOLE/DUMMY FC FRAGMENT
Descriptor: Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Kuglstatter, A, Leibrock, L, Benz, J.
Deposit date:2020-04-24
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Format chain exchange (FORCE) for high-throughput generation of bispecific antibodies in combinatorial binder-format matrices.
Nat Commun, 11, 2020
5ZAU
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BU of 5zau by Molmil
Complex of the human FYN SH3 and monobody binder
Descriptor: Monobody Binder, Tyrosine-protein kinase Fyn
Authors:Reddy, P.P, Gulyani, A, Das, R.
Deposit date:2018-02-09
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Fyn biosensor reveals pulsatile, spatially localized kinase activity and signaling crosstalk in live mammalian cells.
Elife, 9, 2020
7ZRV
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BU of 7zrv by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, full map
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, ...
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-05
Release date:2023-03-08
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7ZSS
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BU of 7zss by Molmil
cryo-EM structure of D614 spike in complex with de novo designed binder
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-08
Release date:2023-03-01
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7ZSD
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BU of 7zsd by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, local
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-06
Release date:2023-03-01
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
3RA7
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BU of 3ra7 by Molmil
Bispecific digoxigenin binding antibodies for targeted payload delivery
Descriptor: DIGOXIGENIN, Fab fragment, heavy chain, ...
Authors:Hopfner, K.P, Lammens, A.
Deposit date:2011-03-27
Release date:2011-07-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:Bispecific digoxigenin-binding antibodies for targeted payload delivery
Proc.Natl.Acad.Sci.USA, 108, 2011
3R28
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BU of 3r28 by Molmil
CDK2 in complex with inhibitor KVR-1-140
Descriptor: 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-14
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R7I
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BU of 3r7i by Molmil
CDK2 in complex with inhibitor KVR-1-74
Descriptor: 1,2-ETHANEDIOL, 4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-22
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3RM6
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BU of 3rm6 by Molmil
CDK2 in complex with inhibitor KVR-2-80
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-20
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R1Y
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BU of 3r1y by Molmil
CDK2 in complex with inhibitor KVR-1-134
Descriptor: 1,2-ETHANEDIOL, 2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-11
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3RAI
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BU of 3rai by Molmil
CDK2 in complex with inhibitor KVR-1-160
Descriptor: 1,2-ETHANEDIOL, 4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-28
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published

 

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