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3ZK6
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BU of 3zk6 by Molmil
Crystal structure of Bcl-xL in complex with inhibitor (Compound 2).
Descriptor: BCL-2-LIKE PROTEIN 1, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide
Authors:Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
Deposit date:2013-01-22
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
3ZLN
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BU of 3zln by Molmil
Crystal structure of BCL-XL in complex with inhibitor (Compound 3)
Descriptor: 1,2-ETHANEDIOL, 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid, BCL-2-LIKE PROTEIN 1, ...
Authors:Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
Deposit date:2013-02-04
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
4A1U
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BU of 4a1u by Molmil
Crystal structure of alpha-beta-foldamer 2c in complex with Bcl-xL
Descriptor: ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1, CHLORIDE ION, ...
Authors:Boersma, M.D, Haase, H.S, Kaufman, K.J, Horne, W.S, Lee, E.F, Clarke, O.B, Smith, B.J, Colman, P.M, Gellman, S.H, Fairlie, W.D.
Deposit date:2011-09-20
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain.
J.Am.Chem.Soc., 134, 2012
4A1W
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BU of 4a1w by Molmil
Crystal structure of alpha-beta foldamer 4c in complex with Bcl-xL
Descriptor: ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1
Authors:Boersma, M.D, Haase, H.S, Kaufman, K.J, Horne, W.S, Lee, E.F, Clarke, O.B, Smith, B.J, Colman, P.M, Gellman, S.H, Fairlie, W.D.
Deposit date:2011-09-20
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain.
J.Am.Chem.Soc., 134, 2012
1FDY
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BU of 1fdy by Molmil
N-ACETYLNEURAMINATE LYASE IN COMPLEX WITH HYDROXYPYRUVATE
Descriptor: 3-HYDROXYPYRUVIC ACID, N-ACETYLNEURAMINATE LYASE
Authors:Lawrence, M.C, Barbosa, J.A.R.G, Smith, B.J, Hall, N.E, Pilling, P.A, Ooi, H.C, Marcuccio, S.M.
Deposit date:1996-07-08
Release date:1997-10-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure and mechanism of a sub-family of enzymes related to N-acetylneuraminate lyase.
J.Mol.Biol., 266, 1997
1FDZ
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BU of 1fdz by Molmil
N-ACETYLNEURAMINATE LYASE IN COMPLEX WITH PYRUVATE VIA BOROHYDRIDE REDUCTION
Descriptor: N-ACETYLNEURAMINATE LYASE, PYRUVIC ACID
Authors:Lawrence, M.C, Barbosa, J.A.R.G, Smith, B.J, Hall, N.E, Pilling, P.A, Ooi, H.C, Marcuccio, S.M.
Deposit date:1996-07-08
Release date:1997-10-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and mechanism of a sub-family of enzymes related to N-acetylneuraminate lyase.
J.Mol.Biol., 266, 1997
1G5G
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BU of 1g5g by Molmil
FRAGMENT OF FUSION PROTEIN FROM NEWCASTLE DISEASE VIRUS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ...
Authors:Lawrence, M.C, Smith, B.J.
Deposit date:2000-11-01
Release date:2002-02-27
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The structure of the fusion glycoprotein of Newcastle disease virus suggests a novel paradigm for the molecular mechanism of membrane fusion.
Structure, 9, 2001
6V4M
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BU of 6v4m by Molmil
Trichuris suis BCL-2
Descriptor: BCL-2, CHLORIDE ION, SULFATE ION
Authors:Fairlie, W.D, Lee, E.F, Smith, B.J.
Deposit date:2019-11-28
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Diversity in the intrinsic apoptosis pathway of nematodes.
Commun Biol, 3, 2020
5VAX
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BU of 5vax by Molmil
Bcl-2 complex with Beclin 1 BH3 domain
Descriptor: Apoptosis regulator Bcl-2 -- Bcl-2-like protein 1 Chimera, Beclin-1
Authors:Lee, E.F, Smith, B.J, Yao, S, Fairlie, W.D.
Deposit date:2017-03-28
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bcl-2 complex with Beclin 1 pT108 BH3 domain
To Be Published
5VAY
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BU of 5vay by Molmil
Bcl-2 complex with Beclin 1 T108D BH3 domain
Descriptor: Apoptosis regulator Bcl-2 -- Bcl-2-like protein 1 Chimera, Beclin-1
Authors:Lee, E.F, Smith, B.J, Yao, S, Fairlie, W.D.
Deposit date:2017-03-28
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Bcl-2 complex with Beclin 1 pT108 BH3 domain
To Be Published
5VAU
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BU of 5vau by Molmil
Bcl-2 complex with Beclin 1 BH3 domain
Descriptor: Apoptosis regulator Bcl-2 -- Bcl-2-like protein 1 Chimera, Beclin-1
Authors:Lee, E.F, Smith, B.J, Yao, S, Fairlie, W.D.
Deposit date:2017-03-28
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.754 Å)
Cite:Bcl-2 complex with Beclin 1 BH3 domain
To Be Published
4WAT
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BU of 4wat by Molmil
Crystal structure of PfRh5, an essential P. falciparum ligand for invasion of human erythrocytes
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IMIDAZOLE, PfRh5
Authors:Chen, L.
Deposit date:2014-09-01
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of PfRh5, an essential P. falciparum ligand for invasion of human erythrocytes.
Elife, 3, 2014
4QVX
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BU of 4qvx by Molmil
Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
Descriptor: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
Authors:Park, C.H.
Deposit date:2014-07-16
Release date:2015-07-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
7LK4
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BU of 7lk4 by Molmil
Crystal structure of BAK L100A in complex with activating antibody fragments
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7D10 antibody VH fragment, 7D10 antibody VL fragment, ...
Authors:Robin, Y.A, Colman, P.M.
Deposit date:2021-02-01
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the BAK-activating antibody 7D10 bound to BAK reveals an unexpected role for the alpha 1-alpha 2 loop in BAK activation.
Cell Death Differ., 29, 2022
5J3H
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BU of 5j3h by Molmil
Human insulin receptor domains L1-CR in complex with peptide S519C16 and 83-7 Fv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lawrence, M, Menting, J, Lawrence, C.
Deposit date:2016-03-30
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Insulin Mimetic Peptide Disrupts the Primary Binding Site of the Insulin Receptor.
J.Biol.Chem., 291, 2016
5JYQ
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BU of 5jyq by Molmil
Structure of Conus Geographus insulin G1
Descriptor: Insulin 1, Insulin 1b, SULFATE ION
Authors:Lawrence, M.C, Menting, J, Norton, R.S, Safavi-Hemami, H.
Deposit date:2016-05-15
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A minimized human insulin-receptor-binding motif revealed in a Conus geographus venom insulin.
Nat.Struct.Mol.Biol., 23, 2016
7KD6
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BU of 7kd6 by Molmil
Insulin Receptor L1-CR plus alphaCT fragment in co-complex with Fv 83-7 and single-chain insulin SCI-b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lawrence, M.C, Menting, J.G.
Deposit date:2020-10-08
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Single-chain insulin analogs threaded by the insulin receptor alpha CT domain.
Biophys.J., 2022
7N9L
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BU of 7n9l by Molmil
KirBac3.1 C71S C262S
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Inward rectifier potassium channel Kirbac3.1, POTASSIUM ION, ...
Authors:Gulbis, J.M, Black, K.A.
Deposit date:2021-06-18
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ion currents through Kir potassium channels are gated by anionic lipids.
Nat Commun, 13, 2022
7N9K
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BU of 7n9k by Molmil
KirBac3.1 L124M mutant
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Inward rectifier potassium channel Kirbac3.1, N-OCTANE, ...
Authors:Black, T.A, Gulbis, J.M.
Deposit date:2021-06-18
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Ion currents through Kir potassium channels are gated by anionic lipids.
Nat Commun, 13, 2022
1YWG
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BU of 1ywg by Molmil
The structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, glyceraldehyde-3-phosphate dehydrogenase
Authors:Satchell, J.F, Klonis, N, Malby, R.L, Adisa, A, Alpyurek, A.E, Colman, P.M, Tilley, L.
Deposit date:2005-02-17
Release date:2005-11-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum.
Acta Crystallogr.,Sect.D, 61, 2005
6UXO
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BU of 6uxo by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with DDM
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Bcl-2 homologous antagonist/killer, ...
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2019-11-07
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6UXQ
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BU of 6uxq by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with POPC and C8E4
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, ...
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2019-11-07
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6VEP
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BU of 6vep by Molmil
Human insulin in complex with the human insulin microreceptor in turn in complex with Fv 83-7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lawrence, M.C, Menting, J.G.T.
Deposit date:2020-01-02
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A structurally minimized yet fully active insulin based on cone-snail venom insulin principles.
Nat.Struct.Mol.Biol., 27, 2020
6VET
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BU of 6vet by Molmil
Human insulin analog: [GluB10,HisA8,ArgA9,TyrB20]-DOI
Descriptor: Insulin A chain, Insulin B chain
Authors:Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X.
Deposit date:2020-01-02
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A structurally minimized yet fully active insulin based on cone-snail venom insulin principles.
Nat.Struct.Mol.Biol., 27, 2020
6UXN
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BU of 6uxn by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine
Descriptor: Bcl-2 homologous antagonist/killer, GLYCEROL, O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ...
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2019-11-07
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020

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