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2PK4
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BU of 2pk4 by Molmil
THE REFINED STRUCTURE OF THE EPSILON-AMINOCAPROIC ACID COMPLEX OF HUMAN PLASMINOGEN KRINGLE
Descriptor: 6-AMINOHEXANOIC ACID, HUMAN PLASMINOGEN KRINGLE 4
Authors:Tulinsky, A, Wu, T.-P.
Deposit date:1991-07-18
Release date:1993-10-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The refined structure of the epsilon-aminocaproic acid complex of human plasminogen kringle 4.
Biochemistry, 30, 1991
2PUQ
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BU of 2puq by Molmil
Crystal structure of active site inhibited coagulation factor VIIA in complex with soluble tissue factor
Descriptor: CALCIUM ION, Coagulation factor VII, TRP-TYR-THR-ARG CHLOROMETHYLKETONE INHIBITOR, ...
Authors:Bjelke, J.R, Rasmussen, H.B.
Deposit date:2007-05-09
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Engineering the substrate and inhibitor specificities of human coagulation Factor VIIa
Biochem.J., 405, 2007
2AER
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BU of 2aer by Molmil
Crystal Structure of Benzamidine-Factor VIIa/Soluble Tissue Factor complex.
Descriptor: BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ...
Authors:Bajaj, S.P, Schmidt, A.E, Padmanabhan, K, Bajaj, M.S, Liesum, A, Dumas, J, Prevost, D, Schreuder, H.
Deposit date:2005-07-23
Release date:2006-07-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:High Resolution Structures of p-Aminobenzamidine- and Benzamidine-VIIa/Soluble Tissue Factor: Unpredicted conformation of the 192-193 peptide bond and mapping of Ca2+, Mg2+, Na+ and Zn2+ sites in factor VIIa
J.Biol.Chem., 281, 2006
2A2Q
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Complex of Active-site Inhibited Human Coagulation Factor VIIa with Human Soluble Tissue Factor in the Presence of Ca2+, Mg2+, Na+, and Zn2+
Descriptor: CALCIUM ION, CHLORIDE ION, Coagulation factor VII, ...
Authors:Bajaj, S.P, Bajaj, M, Schmidt, A.E, Padmanabhan, K.
Deposit date:2005-06-22
Release date:2006-07-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High resolution structures of p-aminobenzamidine- and benzamidine-VIIa/soluble tissue factor: unpredicted conformation of the 192-193 peptide bond and mapping of Ca2+, Mg2+, Na+, and Zn2+ sites in factor VIIa.
J.Biol.Chem., 281, 2006
1CEA
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BU of 1cea by Molmil
THE STRUCTURE OF THE NON-COVALENT COMPLEX OF RECOMBINANT KRINGLE 1 DOMAIN OF HUMAN PLASMINOGEN WITH EACA (EPSILON-AMINOCAPROIC ACID)
Descriptor: 6-AMINOHEXANOIC ACID, PLASMINOGEN
Authors:Tulinsky, A, Mathews, I.I.
Deposit date:1995-12-03
Release date:1996-04-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structures of the recombinant kringle 1 domain of human plasminogen in complexes with the ligands epsilon-aminocaproic acid and trans-4-(aminomethyl)cyclohexane-1-carboxylic Acid.
Biochemistry, 35, 1996
1CEB
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BU of 1ceb by Molmil
THE STRUCTURE OF THE NON-COVALENT COMPLEX OF RECOMBINANT KRINGLE 1 DOMAIN OF HUMAN PLASMINOGEN WITH AMCHA (TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID)
Descriptor: PLASMINOGEN, TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
Authors:Tulinsky, A, Mathews, I.I.
Deposit date:1995-12-03
Release date:1996-04-03
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structures of the recombinant kringle 1 domain of human plasminogen in complexes with the ligands epsilon-aminocaproic acid and trans-4-(aminomethyl)cyclohexane-1-carboxylic Acid.
Biochemistry, 35, 1996
4V08
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BU of 4v08 by Molmil
Inhibited dimeric pseudorabies virus protease pUL26N at 2 A resolution
Descriptor: CHLORIDE ION, DIISOPROPYL PHOSPHONATE, MAGNESIUM ION, ...
Authors:Zuehlsdorf, M, Werten, S, Palm, G.J, Hinrichs, W.
Deposit date:2014-09-11
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin Pul26N, a Herpesvirus Serine Protease
Plos Pathog., 11, 2015
6ROJ
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BU of 6roj by Molmil
Cryo-EM structure of the activated Drs2p-Cdc50p
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ...
Authors:Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
Deposit date:2019-05-13
Release date:2019-07-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
7PEM
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Cryo-EM structure of phophorylated Drs2p-Cdc50p in a PS and ATP-bound E2P state
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Timcenko, M, Wang, Y, Lyons, J.A, Nissen, P, Lindorff-Larsen, K.
Deposit date:2021-08-10
Release date:2022-08-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Substrate Transport and Specificity in a Phospholipid Flippase
To Be Published
7OH4
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Cryo-EM structure of Drs2p-Cdc50p in the E1 state with PI4P and Mg2+ bound
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
7OH7
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BU of 7oh7 by Molmil
Cryo-EM structure of Drs2p-Cdc50p in the E1-AMPPCP state with PI4P bound
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
7OH6
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BU of 7oh6 by Molmil
Cryo-EM structure of Drs2p-Cdc50p in the [PS]E2-AlFx state
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
7OH5
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BU of 7oh5 by Molmil
Cryo-EM structure of Drs2p-Cdc50p in the E1-AlFx-ADP state
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P.
Deposit date:2021-05-09
Release date:2021-06-09
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
5NJ6
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BU of 5nj6 by Molmil
Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in ternary complex with Fab3949 and AZ7188 at 4.0 angstrom resolution
Descriptor: Fab3949 H, Fab3949 L, Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2
Authors:Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N.
Deposit date:2017-03-28
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
4JN1
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BU of 4jn1 by Molmil
An Antidote for Dabigatran
Descriptor: GLYCEROL, anti-dabigatran Fab1, heavy chain, ...
Authors:Schiele, F, Nar, H.
Deposit date:2013-03-14
Release date:2013-03-27
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A specific antidote for dabigatran: functional and structural characterization.
Blood, 121, 2013
4JN2
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BU of 4jn2 by Molmil
An Antidote for Dabigatran
Descriptor: GLYCEROL, N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, anti dabigatran Fab
Authors:Schiele, F, Nar, H.
Deposit date:2013-03-14
Release date:2013-03-27
Last modified:2015-03-11
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:A specific antidote for dabigatran: functional and structural characterization.
Blood, 121, 2013
8G6I
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BU of 8g6i by Molmil
Coagulation factor VIII bound to a patient-derived anti-C1 domain antibody inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor VIII chimera from human and pig, NB33 heavy chain, ...
Authors:Childers, K.C, Davulcu, O, Haynes, R.M, Lollar, P, Doering, C.B, Coxon, C.H, Spiegel, P.C.
Deposit date:2023-02-15
Release date:2023-05-24
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (4.23 Å)
Cite:Structure of coagulation factor VIII bound to a patient-derived anti-C1 domain antibody inhibitor.
Blood, 142, 2023
8A8G
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ATP sulfurylase from Methanothermococcus thermolithotrophicus - orthorhombic form
Descriptor: ATP sulfurylase from Methanothermococcus thermolithotrophicus, GLYCEROL, ZINC ION
Authors:Jespersen, M, Wagner, T.
Deposit date:2022-06-23
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Assimilatory sulfate reduction in the marine methanogen Methanothermococcus thermolithotrophicus.
Nat Microbiol, 8, 2023
8A8H
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BU of 8a8h by Molmil
APS kinase from Methanothermococcus thermolithotrophicus refined to 1.77 A
Descriptor: 1,2-ETHANEDIOL, APS kinase from Methanothermococcus thermolithotrophicus, CHLORIDE ION, ...
Authors:Jespersen, M, Wagner, T.
Deposit date:2022-06-23
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Assimilatory sulfate reduction in the marine methanogen Methanothermococcus thermolithotrophicus.
Nat Microbiol, 8, 2023
8A8D
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BU of 8a8d by Molmil
ATP sulfurylase from Methanothermococcus thermolithotrophicus - monoclinic form
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ATP sulfurylase from Methanothermococcus thermolithotrophicus, ...
Authors:Jespersen, M, Wagner, T.
Deposit date:2022-06-22
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Assimilatory sulfate reduction in the marine methanogen Methanothermococcus thermolithotrophicus.
Nat Microbiol, 8, 2023
7OQ4
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BU of 7oq4 by Molmil
Cryo-EM structure of the ATV RNAP Inhibitory Protein (RIP) bound to the DNA-binding channel of the host's RNA polymerase
Descriptor: Conserved protein, DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit A'', ...
Authors:Pilotto, S, Fouqueau, T, Lukoyanova, N, Sheppard, C, Lucas-Staat, S, Diaz-Santin, L.M, Matelska, D, Prangishvili, D, Cheung, A.C.M, Werner, F.
Deposit date:2021-06-02
Release date:2021-08-25
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structural basis of RNA polymerase inhibition by viral and host factors.
Nat Commun, 12, 2021
5FS6
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BU of 5fs6 by Molmil
Crystal structure of the V243L mutant of human apoptosis inducing factor
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, APOPTOSIS-INDUCING FACTOR 1, MITOCHONDRIAL, ...
Authors:Sevrioukova, I.
Deposit date:2015-12-30
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure/Function Relations in Aifm1 Variants Associated with Neurodegenerative Disorders
J.Mol.Biol., 428, 2016
6MV4
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CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR IXa
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Vadivel, K, Schreuder, H.A, Liesum, A, Bajaj, S.P.
Deposit date:2018-10-24
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Sodium-site in serine protease domain of human coagulation factor IXa: evidence from the crystal structure and molecular dynamics simulations study.
J. Thromb. Haemost., 17, 2019
6QAF
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BU of 6qaf by Molmil
Crystal structure of human Arginase-1 at pH 9.0 in complex with CB-1158/INCB001158
Descriptor: Arginase-1, MANGANESE (II) ION, SODIUM ION, ...
Authors:Grobben, Y, Uitdehaag, J.C.M, Tabak, W.W.A, Zaman, G.J.R.
Deposit date:2018-12-19
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural insights into human Arginase-1 pH dependence and its inhibition by the small molecule inhibitor CB-1158.
J Struct Biol X, 4, 2020
6EP8
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BU of 6ep8 by Molmil
InhA Y158F mutant in complex with NADH from Mycobacterium tuberculosis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
Authors:Wagner, T, Voegeli, B, Rosenthal, R.G, Stoffel, G, Shima, S, Kiefer, P, Cortina, N, Erb, T.J.
Deposit date:2017-10-11
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:InhA, the enoyl-thioester reductase fromMycobacterium tuberculosisforms a covalent adduct during catalysis.
J. Biol. Chem., 293, 2018

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